USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1063 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 41 GLN :FLIP amide:sc= -2.81 F(o=-8.4!,f=-3.8) USER MOD Set 1.2: A 72 MET CE :methyl 143:sc= -0.789 (180deg=-1.87!) USER MOD Set 1.3: A 76 MET CE :methyl -128:sc= -0.163 (180deg=-1.95!) USER MOD Set 2.1: A 36 MET CE :methyl -175:sc= -4.55! (180deg=-4.69!) USER MOD Set 2.2: A 75 GLN : amide:sc= -4.39! C(o=-8.9!,f=-13!) USER MOD Set 3.1: A 58 ASN : amide:sc= 0.723 K(o=0.9,f=-6.8) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= 0.18 F(o=-6.8!,f=0.9) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.29) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.533 K(o=0.53,f=-0.82) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -2.08! (180deg=-3.44!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -15:sc= 0.559! USER MOD Single : A 42 ASN : amide:sc= -0.258 K(o=-0.26,f=-1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0738 K(o=-0.074,f=-0.7) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.66 F(o=-2.9!,f=-0.66) USER MOD Single : A 60 ASN : amide:sc= -5.6! C(o=-5.6!,f=-6!) USER MOD Single : A 62 GLN :FLIP amide:sc= -3.84 F(o=-7.9!,f=-3.8) USER MOD Single : A 64 ASN :FLIP amide:sc= -3.02 F(o=-5.1!,f=-3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 82:sc= -0.622 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -0.0169 (180deg=-0.134) USER MOD Single : A 85 MET CE :methyl -175:sc= -0.687 (180deg=-0.81) USER MOD Single : A 90 LYS NZ :NH3+ 146:sc= 0.724 (180deg=0.163) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 166:sc= -1.15 (180deg=-1.7) USER MOD Single : A 111 ASN :FLIP amide:sc= -1.98 F(o=-2.5!,f=-2) USER MOD Single : A 115 LYS NZ :NH3+ 166:sc= -0.0485 (180deg=-0.301) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 124 MET CE :methyl -115:sc= -1.35 (180deg=-1.78!) USER MOD Single : A 135 MET CE :methyl -149:sc= -0.71 (180deg=-2.29!) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.183 F(o=-2.8!,f=-0.18) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl -141:sc= -2.56 (180deg=-2.74!) USER MOD Single : A 146 SER OG : rot -55:sc= 1.06 USER MOD Single : A 147 GLN : amide:sc= -0.387 K(o=-0.39,f=-4.9!) USER MOD Single : A 148 LYS NZ :NH3+ 135:sc= 0 (180deg=-0.55) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.755 -14.554 1.797 1.00 0.87 N ATOM 13 CA GLU A 3 11.871 -14.412 3.243 1.00 0.57 C ATOM 14 C GLU A 3 13.212 -13.783 3.608 1.00 0.48 C ATOM 15 O GLU A 3 14.108 -13.694 2.771 1.00 0.55 O ATOM 16 CB GLU A 3 11.736 -15.783 3.913 1.00 0.70 C ATOM 17 CG GLU A 3 11.606 -15.721 5.427 1.00 1.23 C ATOM 18 CD GLU A 3 10.412 -14.902 5.878 1.00 1.78 C ATOM 19 OE1 GLU A 3 9.305 -15.471 5.976 1.00 2.20 O ATOM 20 OE2 GLU A 3 10.584 -13.691 6.131 1.00 2.49 O ATOM 0 HA GLU A 3 11.072 -13.761 3.597 1.00 0.57 H new ATOM 0 HB2 GLU A 3 10.863 -16.291 3.504 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.606 -16.388 3.658 1.00 0.70 H new ATOM 0 HG2 GLU A 3 11.517 -16.733 5.822 1.00 1.23 H new ATOM 0 HG3 GLU A 3 12.515 -15.293 5.849 1.00 1.23 H new ATOM 27 N LEU A 4 13.342 -13.336 4.854 1.00 0.44 N ATOM 28 CA LEU A 4 14.583 -12.725 5.322 1.00 0.39 C ATOM 29 C LEU A 4 15.624 -13.797 5.641 1.00 0.37 C ATOM 30 O LEU A 4 16.125 -13.881 6.763 1.00 0.45 O ATOM 31 CB LEU A 4 14.323 -11.862 6.564 1.00 0.47 C ATOM 32 CG LEU A 4 13.734 -10.468 6.302 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.684 -9.621 5.471 1.00 1.12 C ATOM 34 CD2 LEU A 4 12.381 -10.564 5.614 1.00 1.25 C ATOM 0 H LEU A 4 12.605 -13.385 5.557 1.00 0.44 H new ATOM 0 HA LEU A 4 14.969 -12.088 4.526 1.00 0.39 H new ATOM 0 HB2 LEU A 4 13.645 -12.404 7.223 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.263 -11.742 7.103 1.00 0.47 H new ATOM 0 HG LEU A 4 13.595 -9.985 7.269 1.00 0.43 H new ATOM 0 HD11 LEU A 4 14.242 -8.639 5.301 1.00 1.12 H new ATOM 0 HD12 LEU A 4 15.629 -9.506 6.002 1.00 1.12 H new ATOM 0 HD13 LEU A 4 14.864 -10.109 4.513 1.00 1.12 H new ATOM 0 HD21 LEU A 4 11.989 -9.562 5.441 1.00 1.25 H new ATOM 0 HD22 LEU A 4 12.494 -11.079 4.660 1.00 1.25 H new ATOM 0 HD23 LEU A 4 11.690 -11.120 6.247 1.00 1.25 H new ATOM 46 N THR A 5 15.945 -14.614 4.640 1.00 0.35 N ATOM 47 CA THR A 5 16.922 -15.688 4.797 1.00 0.37 C ATOM 48 C THR A 5 18.340 -15.165 4.577 1.00 0.35 C ATOM 49 O THR A 5 18.525 -14.072 4.057 1.00 0.39 O ATOM 50 CB THR A 5 16.636 -16.843 3.813 1.00 0.40 C ATOM 51 OG1 THR A 5 15.260 -17.232 3.906 1.00 0.46 O ATOM 52 CG2 THR A 5 17.521 -18.048 4.100 1.00 0.47 C ATOM 0 H THR A 5 15.540 -14.551 3.706 1.00 0.35 H new ATOM 0 HA THR A 5 16.837 -16.066 5.816 1.00 0.37 H new ATOM 0 HB THR A 5 16.855 -16.487 2.806 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.084 -17.964 3.278 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.295 -18.843 3.390 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.568 -17.762 4.002 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.335 -18.403 5.114 1.00 0.47 H new ATOM 60 N GLU A 6 19.336 -15.949 4.981 1.00 0.36 N ATOM 61 CA GLU A 6 20.739 -15.559 4.836 1.00 0.37 C ATOM 62 C GLU A 6 21.046 -14.994 3.446 1.00 0.33 C ATOM 63 O GLU A 6 21.652 -13.929 3.322 1.00 0.34 O ATOM 64 CB GLU A 6 21.646 -16.758 5.122 1.00 0.45 C ATOM 65 CG GLU A 6 21.335 -17.980 4.274 1.00 0.87 C ATOM 66 CD GLU A 6 22.240 -19.155 4.589 1.00 0.98 C ATOM 67 OE1 GLU A 6 21.885 -19.956 5.479 1.00 1.17 O ATOM 68 OE2 GLU A 6 23.304 -19.273 3.947 1.00 1.20 O ATOM 0 H GLU A 6 19.198 -16.862 5.413 1.00 0.36 H new ATOM 0 HA GLU A 6 20.932 -14.767 5.559 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.683 -16.465 4.954 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.557 -17.026 6.175 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.297 -18.273 4.433 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.436 -17.721 3.220 1.00 0.87 H new ATOM 75 N GLU A 7 20.618 -15.704 2.405 1.00 0.34 N ATOM 76 CA GLU A 7 20.866 -15.280 1.030 1.00 0.35 C ATOM 77 C GLU A 7 20.084 -14.017 0.688 1.00 0.30 C ATOM 78 O GLU A 7 20.646 -13.046 0.183 1.00 0.30 O ATOM 79 CB GLU A 7 20.506 -16.404 0.055 1.00 0.44 C ATOM 80 CG GLU A 7 19.111 -16.972 0.261 1.00 0.47 C ATOM 81 CD GLU A 7 18.771 -18.061 -0.739 1.00 0.57 C ATOM 82 OE1 GLU A 7 19.115 -19.234 -0.480 1.00 0.61 O ATOM 83 OE2 GLU A 7 18.165 -17.739 -1.783 1.00 0.64 O ATOM 0 H GLU A 7 20.097 -16.577 2.488 1.00 0.34 H new ATOM 0 HA GLU A 7 21.928 -15.053 0.937 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.588 -16.028 -0.965 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.234 -17.208 0.158 1.00 0.44 H new ATOM 0 HG2 GLU A 7 19.032 -17.374 1.271 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.380 -16.168 0.180 1.00 0.47 H new ATOM 90 N GLN A 8 18.786 -14.041 0.963 1.00 0.30 N ATOM 91 CA GLN A 8 17.922 -12.900 0.689 1.00 0.30 C ATOM 92 C GLN A 8 18.445 -11.644 1.376 1.00 0.25 C ATOM 93 O GLN A 8 18.549 -10.585 0.759 1.00 0.24 O ATOM 94 CB GLN A 8 16.502 -13.202 1.159 1.00 0.35 C ATOM 95 CG GLN A 8 15.720 -14.089 0.204 1.00 0.45 C ATOM 96 CD GLN A 8 15.429 -13.405 -1.117 1.00 0.72 C ATOM 97 OE1 GLN A 8 16.209 -13.502 -2.065 1.00 1.32 O ATOM 98 NE2 GLN A 8 14.304 -12.703 -1.184 1.00 1.02 N ATOM 0 H GLN A 8 18.307 -14.841 1.377 1.00 0.30 H new ATOM 0 HA GLN A 8 17.916 -12.722 -0.386 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.546 -13.684 2.135 1.00 0.35 H new ATOM 0 HB3 GLN A 8 15.965 -12.263 1.292 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.283 -15.004 0.019 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.780 -14.382 0.672 1.00 0.45 H new ATOM 0 HE21 GLN A 8 13.687 -12.650 -0.374 1.00 1.02 H new ATOM 0 HE22 GLN A 8 14.057 -12.217 -2.046 1.00 1.02 H new ATOM 107 N ILE A 9 18.769 -11.772 2.657 1.00 0.25 N ATOM 108 CA ILE A 9 19.286 -10.656 3.432 1.00 0.26 C ATOM 109 C ILE A 9 20.499 -10.043 2.751 1.00 0.25 C ATOM 110 O ILE A 9 20.622 -8.825 2.665 1.00 0.27 O ATOM 111 CB ILE A 9 19.664 -11.088 4.865 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.404 -11.474 5.646 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.420 -9.975 5.580 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.689 -12.037 7.021 1.00 0.45 C ATOM 0 H ILE A 9 18.681 -12.643 3.181 1.00 0.25 H new ATOM 0 HA ILE A 9 18.492 -9.912 3.493 1.00 0.26 H new ATOM 0 HB ILE A 9 20.319 -11.957 4.807 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.767 -10.595 5.748 1.00 0.37 H new ATOM 0 HG13 ILE A 9 17.842 -12.210 5.071 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.677 -10.299 6.588 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.332 -9.743 5.030 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.792 -9.085 5.634 1.00 0.34 H new ATOM 0 HD11 ILE A 9 17.749 -12.287 7.514 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.300 -12.935 6.927 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.223 -11.295 7.614 1.00 0.45 H new ATOM 126 N ALA A 10 21.384 -10.900 2.262 1.00 0.26 N ATOM 127 CA ALA A 10 22.591 -10.450 1.584 1.00 0.28 C ATOM 128 C ALA A 10 22.281 -9.930 0.184 1.00 0.24 C ATOM 129 O ALA A 10 23.061 -9.169 -0.391 1.00 0.25 O ATOM 130 CB ALA A 10 23.599 -11.588 1.517 1.00 0.36 C ATOM 0 H ALA A 10 21.288 -11.914 2.323 1.00 0.26 H new ATOM 0 HA ALA A 10 23.017 -9.625 2.155 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.501 -11.246 1.009 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.852 -11.910 2.527 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.167 -12.424 0.967 1.00 0.36 H new ATOM 136 N GLU A 11 21.135 -10.334 -0.358 1.00 0.24 N ATOM 137 CA GLU A 11 20.733 -9.912 -1.697 1.00 0.25 C ATOM 138 C GLU A 11 20.401 -8.423 -1.741 1.00 0.22 C ATOM 139 O GLU A 11 20.989 -7.673 -2.525 1.00 0.22 O ATOM 140 CB GLU A 11 19.530 -10.735 -2.172 1.00 0.31 C ATOM 141 CG GLU A 11 18.859 -10.181 -3.420 1.00 0.40 C ATOM 142 CD GLU A 11 17.713 -11.051 -3.900 1.00 1.06 C ATOM 143 OE1 GLU A 11 16.612 -10.958 -3.317 1.00 1.93 O ATOM 144 OE2 GLU A 11 17.915 -11.824 -4.860 1.00 1.02 O ATOM 0 H GLU A 11 20.470 -10.951 0.108 1.00 0.24 H new ATOM 0 HA GLU A 11 21.575 -10.086 -2.367 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.856 -11.756 -2.369 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.796 -10.785 -1.368 1.00 0.31 H new ATOM 0 HG2 GLU A 11 18.487 -9.178 -3.213 1.00 0.40 H new ATOM 0 HG3 GLU A 11 19.599 -10.089 -4.215 1.00 0.40 H new ATOM 151 N PHE A 12 19.469 -7.987 -0.896 1.00 0.21 N ATOM 152 CA PHE A 12 19.081 -6.583 -0.875 1.00 0.23 C ATOM 153 C PHE A 12 20.079 -5.745 -0.088 1.00 0.20 C ATOM 154 O PHE A 12 20.256 -4.561 -0.369 1.00 0.22 O ATOM 155 CB PHE A 12 17.666 -6.403 -0.319 1.00 0.29 C ATOM 156 CG PHE A 12 17.446 -6.979 1.046 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.823 -6.278 2.179 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.835 -8.211 1.195 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.599 -6.802 3.435 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.605 -8.738 2.448 1.00 0.28 C ATOM 161 CZ PHE A 12 16.990 -8.032 3.569 1.00 0.33 C ATOM 0 H PHE A 12 18.976 -8.578 -0.227 1.00 0.21 H new ATOM 0 HA PHE A 12 19.084 -6.231 -1.906 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.436 -5.338 -0.289 1.00 0.29 H new ATOM 0 HB3 PHE A 12 16.959 -6.863 -1.010 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.297 -5.313 2.078 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.534 -8.767 0.319 1.00 0.27 H new ATOM 0 HE1 PHE A 12 17.900 -6.250 4.313 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.125 -9.700 2.552 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.814 -8.443 4.552 1.00 0.33 H new ATOM 171 N LYS A 13 20.731 -6.354 0.900 1.00 0.18 N ATOM 172 CA LYS A 13 21.725 -5.639 1.690 1.00 0.21 C ATOM 173 C LYS A 13 22.878 -5.211 0.790 1.00 0.19 C ATOM 174 O LYS A 13 23.475 -4.152 0.983 1.00 0.24 O ATOM 175 CB LYS A 13 22.237 -6.508 2.845 1.00 0.26 C ATOM 176 CG LYS A 13 23.479 -5.949 3.528 1.00 0.31 C ATOM 177 CD LYS A 13 23.138 -4.762 4.417 1.00 0.40 C ATOM 178 CE LYS A 13 24.355 -3.889 4.681 1.00 0.68 C ATOM 179 NZ LYS A 13 24.164 -3.014 5.871 1.00 1.53 N ATOM 0 H LYS A 13 20.590 -7.328 1.169 1.00 0.18 H new ATOM 0 HA LYS A 13 21.259 -4.754 2.123 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.444 -6.617 3.585 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.459 -7.506 2.467 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.950 -6.730 4.126 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.204 -5.644 2.774 1.00 0.31 H new ATOM 0 HD2 LYS A 13 22.358 -4.165 3.944 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.735 -5.121 5.364 1.00 0.40 H new ATOM 0 HE2 LYS A 13 25.230 -4.522 4.832 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.556 -3.272 3.805 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 25.016 -2.435 6.017 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 23.345 -2.392 5.717 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 23.998 -3.603 6.712 1.00 1.53 H new ATOM 193 N ASP A 14 23.179 -6.049 -0.201 1.00 0.16 N ATOM 194 CA ASP A 14 24.243 -5.759 -1.152 1.00 0.19 C ATOM 195 C ASP A 14 23.808 -4.643 -2.096 1.00 0.18 C ATOM 196 O ASP A 14 24.523 -3.660 -2.290 1.00 0.20 O ATOM 197 CB ASP A 14 24.599 -7.014 -1.951 1.00 0.23 C ATOM 198 CG ASP A 14 25.811 -6.815 -2.837 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.941 -6.794 -2.303 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.633 -6.678 -4.066 1.00 0.39 O ATOM 0 H ASP A 14 22.699 -6.934 -0.364 1.00 0.16 H new ATOM 0 HA ASP A 14 25.126 -5.435 -0.601 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.788 -7.837 -1.262 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.747 -7.302 -2.566 1.00 0.23 H new ATOM 205 N ALA A 15 22.625 -4.803 -2.680 1.00 0.17 N ATOM 206 CA ALA A 15 22.084 -3.803 -3.587 1.00 0.19 C ATOM 207 C ALA A 15 21.822 -2.497 -2.845 1.00 0.20 C ATOM 208 O ALA A 15 21.621 -1.448 -3.458 1.00 0.24 O ATOM 209 CB ALA A 15 20.806 -4.311 -4.236 1.00 0.22 C ATOM 0 H ALA A 15 22.025 -5.616 -2.540 1.00 0.17 H new ATOM 0 HA ALA A 15 22.818 -3.614 -4.370 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.414 -3.551 -4.912 1.00 0.22 H new ATOM 0 HB2 ALA A 15 21.020 -5.220 -4.798 1.00 0.22 H new ATOM 0 HB3 ALA A 15 20.067 -4.526 -3.464 1.00 0.22 H new ATOM 215 N PHE A 16 21.829 -2.576 -1.518 1.00 0.21 N ATOM 216 CA PHE A 16 21.589 -1.416 -0.670 1.00 0.25 C ATOM 217 C PHE A 16 22.850 -0.570 -0.544 1.00 0.23 C ATOM 218 O PHE A 16 22.807 0.652 -0.695 1.00 0.24 O ATOM 219 CB PHE A 16 21.113 -1.873 0.713 1.00 0.31 C ATOM 220 CG PHE A 16 21.067 -0.777 1.740 1.00 0.35 C ATOM 221 CD1 PHE A 16 19.972 0.067 1.828 1.00 0.43 C ATOM 222 CD2 PHE A 16 22.121 -0.598 2.623 1.00 0.41 C ATOM 223 CE1 PHE A 16 19.929 1.071 2.777 1.00 0.52 C ATOM 224 CE2 PHE A 16 22.083 0.403 3.573 1.00 0.50 C ATOM 225 CZ PHE A 16 20.988 1.238 3.651 1.00 0.54 C ATOM 0 H PHE A 16 22.000 -3.440 -1.004 1.00 0.21 H new ATOM 0 HA PHE A 16 20.813 -0.803 -1.129 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.118 -2.308 0.617 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.774 -2.663 1.070 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.143 -0.061 1.148 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.981 -1.249 2.567 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.070 1.724 2.836 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.910 0.532 4.255 1.00 0.50 H new ATOM 0 HZ PHE A 16 20.957 2.021 4.394 1.00 0.54 H new ATOM 235 N VAL A 17 23.972 -1.224 -0.268 1.00 0.23 N ATOM 236 CA VAL A 17 25.241 -0.526 -0.125 1.00 0.24 C ATOM 237 C VAL A 17 25.717 0.011 -1.467 1.00 0.23 C ATOM 238 O VAL A 17 26.534 0.930 -1.527 1.00 0.28 O ATOM 239 CB VAL A 17 26.327 -1.440 0.475 1.00 0.28 C ATOM 240 CG1 VAL A 17 25.937 -1.878 1.878 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.572 -2.647 -0.418 1.00 0.76 C ATOM 0 H VAL A 17 24.028 -2.234 -0.139 1.00 0.23 H new ATOM 0 HA VAL A 17 25.073 0.306 0.558 1.00 0.24 H new ATOM 0 HB VAL A 17 27.256 -0.873 0.537 1.00 0.28 H new ATOM 0 HG11 VAL A 17 26.715 -2.523 2.287 1.00 0.90 H new ATOM 0 HG12 VAL A 17 25.821 -1.000 2.514 1.00 0.90 H new ATOM 0 HG13 VAL A 17 24.995 -2.425 1.840 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.342 -3.278 0.026 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.649 -3.218 -0.519 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.900 -2.311 -1.402 1.00 0.76 H new ATOM 251 N GLN A 18 25.201 -0.574 -2.544 1.00 0.20 N ATOM 252 CA GLN A 18 25.562 -0.151 -3.891 1.00 0.21 C ATOM 253 C GLN A 18 25.070 1.266 -4.175 1.00 0.21 C ATOM 254 O GLN A 18 25.608 1.955 -5.044 1.00 0.26 O ATOM 255 CB GLN A 18 24.982 -1.116 -4.925 1.00 0.24 C ATOM 256 CG GLN A 18 25.735 -2.431 -5.030 1.00 0.29 C ATOM 257 CD GLN A 18 25.199 -3.321 -6.134 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.675 -2.838 -7.138 1.00 1.86 O ATOM 259 NE2 GLN A 18 25.328 -4.630 -5.956 1.00 1.60 N ATOM 0 H GLN A 18 24.531 -1.343 -2.509 1.00 0.20 H new ATOM 0 HA GLN A 18 26.650 -0.159 -3.962 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.942 -1.323 -4.671 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.981 -0.630 -5.901 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.790 -2.228 -5.212 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.671 -2.959 -4.079 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.769 -4.989 -5.109 1.00 1.60 H new ATOM 0 HE22 GLN A 18 24.986 -5.277 -6.666 1.00 1.60 H new ATOM 268 N PHE A 19 24.046 1.698 -3.443 1.00 0.22 N ATOM 269 CA PHE A 19 23.485 3.034 -3.630 1.00 0.25 C ATOM 270 C PHE A 19 23.942 3.992 -2.534 1.00 0.23 C ATOM 271 O PHE A 19 23.585 5.171 -2.545 1.00 0.32 O ATOM 272 CB PHE A 19 21.957 2.973 -3.667 1.00 0.29 C ATOM 273 CG PHE A 19 21.409 2.375 -4.932 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.598 3.007 -6.152 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.705 1.182 -4.904 1.00 0.44 C ATOM 276 CE1 PHE A 19 21.096 2.461 -7.318 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.200 0.632 -6.066 1.00 0.46 C ATOM 278 CZ PHE A 19 20.396 1.272 -7.275 1.00 0.42 C ATOM 0 H PHE A 19 23.589 1.145 -2.718 1.00 0.22 H new ATOM 0 HA PHE A 19 23.851 3.413 -4.584 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.604 2.389 -2.817 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.559 3.981 -3.549 1.00 0.29 H new ATOM 0 HD1 PHE A 19 22.144 3.938 -6.191 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.549 0.676 -3.963 1.00 0.44 H new ATOM 0 HE1 PHE A 19 21.251 2.964 -8.261 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.652 -0.298 -6.030 1.00 0.46 H new ATOM 0 HZ PHE A 19 20.002 0.843 -8.184 1.00 0.42 H new ATOM 288 N ASP A 20 24.731 3.486 -1.592 1.00 0.25 N ATOM 289 CA ASP A 20 25.234 4.311 -0.498 1.00 0.24 C ATOM 290 C ASP A 20 26.111 5.438 -1.037 1.00 0.24 C ATOM 291 O ASP A 20 27.273 5.222 -1.380 1.00 0.29 O ATOM 292 CB ASP A 20 26.028 3.454 0.490 1.00 0.28 C ATOM 293 CG ASP A 20 26.627 4.273 1.616 1.00 0.32 C ATOM 294 OD1 ASP A 20 27.766 4.759 1.456 1.00 0.37 O ATOM 295 OD2 ASP A 20 25.956 4.430 2.658 1.00 0.37 O ATOM 0 H ASP A 20 25.035 2.513 -1.563 1.00 0.25 H new ATOM 0 HA ASP A 20 24.383 4.751 0.021 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.375 2.689 0.909 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.826 2.936 -0.042 1.00 0.28 H new ATOM 300 N LYS A 21 25.547 6.643 -1.109 1.00 0.24 N ATOM 301 CA LYS A 21 26.281 7.797 -1.621 1.00 0.30 C ATOM 302 C LYS A 21 26.854 8.652 -0.494 1.00 0.29 C ATOM 303 O LYS A 21 28.069 8.832 -0.398 1.00 0.33 O ATOM 304 CB LYS A 21 25.373 8.649 -2.508 1.00 0.36 C ATOM 305 CG LYS A 21 25.042 7.995 -3.838 1.00 0.90 C ATOM 306 CD LYS A 21 26.258 7.929 -4.754 1.00 1.04 C ATOM 307 CE LYS A 21 26.495 9.248 -5.477 1.00 1.70 C ATOM 308 NZ LYS A 21 26.878 10.343 -4.542 1.00 2.47 N ATOM 0 H LYS A 21 24.589 6.844 -0.821 1.00 0.24 H new ATOM 0 HA LYS A 21 27.116 7.418 -2.210 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.446 8.857 -1.973 1.00 0.36 H new ATOM 0 HB3 LYS A 21 25.856 9.609 -2.694 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.663 6.988 -3.664 1.00 0.90 H new ATOM 0 HG3 LYS A 21 24.246 8.554 -4.330 1.00 0.90 H new ATOM 0 HD2 LYS A 21 27.141 7.672 -4.168 1.00 1.04 H new ATOM 0 HD3 LYS A 21 26.119 7.133 -5.486 1.00 1.04 H new ATOM 0 HE2 LYS A 21 27.281 9.116 -6.221 1.00 1.70 H new ATOM 0 HE3 LYS A 21 25.591 9.532 -6.016 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 27.466 11.039 -5.044 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 26.020 10.809 -4.183 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 27.416 9.947 -3.745 1.00 2.47 H new ATOM 322 N GLU A 22 25.974 9.178 0.353 1.00 0.27 N ATOM 323 CA GLU A 22 26.390 10.026 1.467 1.00 0.29 C ATOM 324 C GLU A 22 27.488 9.366 2.296 1.00 0.31 C ATOM 325 O GLU A 22 28.417 10.033 2.752 1.00 0.41 O ATOM 326 CB GLU A 22 25.190 10.355 2.355 1.00 0.31 C ATOM 327 CG GLU A 22 24.071 11.074 1.621 1.00 0.35 C ATOM 328 CD GLU A 22 24.496 12.429 1.090 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.429 13.414 1.855 1.00 0.93 O ATOM 330 OE2 GLU A 22 24.896 12.506 -0.092 1.00 0.44 O ATOM 0 H GLU A 22 24.967 9.032 0.289 1.00 0.27 H new ATOM 0 HA GLU A 22 26.795 10.948 1.049 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.799 9.431 2.781 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.524 10.974 3.188 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.729 10.454 0.792 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.223 11.202 2.294 1.00 0.35 H new ATOM 337 N GLY A 23 27.376 8.055 2.491 1.00 0.31 N ATOM 338 CA GLY A 23 28.372 7.337 3.265 1.00 0.34 C ATOM 339 C GLY A 23 28.013 7.244 4.733 1.00 0.34 C ATOM 340 O GLY A 23 28.744 6.644 5.522 1.00 0.39 O ATOM 0 H GLY A 23 26.616 7.479 2.128 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.487 6.332 2.859 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.336 7.835 3.161 1.00 0.34 H new ATOM 344 N THR A 24 26.881 7.836 5.099 1.00 0.34 N ATOM 345 CA THR A 24 26.421 7.821 6.483 1.00 0.38 C ATOM 346 C THR A 24 25.664 6.534 6.793 1.00 0.36 C ATOM 347 O THR A 24 24.715 6.535 7.579 1.00 0.40 O ATOM 348 CB THR A 24 25.504 9.023 6.779 1.00 0.41 C ATOM 349 OG1 THR A 24 24.394 9.028 5.875 1.00 1.23 O ATOM 350 CG2 THR A 24 26.268 10.333 6.658 1.00 1.39 C ATOM 0 H THR A 24 26.265 8.333 4.456 1.00 0.34 H new ATOM 0 HA THR A 24 27.307 7.882 7.115 1.00 0.38 H new ATOM 0 HB THR A 24 25.139 8.927 7.802 1.00 0.41 H new ATOM 0 HG1 THR A 24 23.816 9.794 6.071 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.598 11.166 6.872 1.00 1.39 H new ATOM 0 HG22 THR A 24 27.094 10.340 7.369 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.660 10.433 5.646 1.00 1.39 H new ATOM 358 N GLY A 25 26.090 5.436 6.174 1.00 0.34 N ATOM 359 CA GLY A 25 25.431 4.162 6.393 1.00 0.37 C ATOM 360 C GLY A 25 23.995 4.180 5.912 1.00 0.31 C ATOM 361 O GLY A 25 23.220 3.267 6.199 1.00 0.36 O ATOM 0 H GLY A 25 26.878 5.407 5.527 1.00 0.34 H new ATOM 0 HA2 GLY A 25 25.978 3.376 5.873 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.455 3.918 7.455 1.00 0.37 H new ATOM 365 N LYS A 26 23.646 5.228 5.173 1.00 0.27 N ATOM 366 CA LYS A 26 22.299 5.387 4.644 1.00 0.23 C ATOM 367 C LYS A 26 22.336 5.739 3.163 1.00 0.21 C ATOM 368 O LYS A 26 23.323 6.290 2.672 1.00 0.24 O ATOM 369 CB LYS A 26 21.551 6.468 5.427 1.00 0.25 C ATOM 370 CG LYS A 26 21.242 6.066 6.860 1.00 0.29 C ATOM 371 CD LYS A 26 20.675 7.222 7.666 1.00 0.51 C ATOM 372 CE LYS A 26 19.264 7.573 7.228 1.00 0.89 C ATOM 373 NZ LYS A 26 18.715 8.726 7.994 1.00 1.58 N ATOM 0 H LYS A 26 24.284 5.985 4.926 1.00 0.27 H new ATOM 0 HA LYS A 26 21.772 4.439 4.756 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.147 7.381 5.433 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.618 6.700 4.913 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.530 5.241 6.859 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.151 5.702 7.338 1.00 0.29 H new ATOM 0 HD2 LYS A 26 20.673 6.961 8.724 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.319 8.094 7.553 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.263 7.810 6.164 1.00 0.89 H new ATOM 0 HE3 LYS A 26 18.616 6.707 7.362 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 17.751 8.934 7.665 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 18.692 8.491 9.007 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 19.318 9.560 7.846 1.00 1.58 H new ATOM 387 N ILE A 27 21.257 5.423 2.454 1.00 0.19 N ATOM 388 CA ILE A 27 21.176 5.705 1.027 1.00 0.20 C ATOM 389 C ILE A 27 20.093 6.734 0.734 1.00 0.19 C ATOM 390 O ILE A 27 19.148 6.892 1.507 1.00 0.23 O ATOM 391 CB ILE A 27 20.901 4.430 0.205 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.455 3.965 0.389 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.869 3.331 0.608 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.752 3.667 -0.915 1.00 0.54 C ATOM 0 H ILE A 27 20.429 4.973 2.844 1.00 0.19 H new ATOM 0 HA ILE A 27 22.146 6.106 0.732 1.00 0.20 H new ATOM 0 HB ILE A 27 21.050 4.660 -0.850 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.445 3.071 1.012 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.899 4.734 0.926 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.666 2.435 0.022 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.891 3.661 0.424 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.745 3.107 1.668 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.731 3.343 -0.712 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.731 4.566 -1.531 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.286 2.877 -1.444 1.00 0.54 H new ATOM 406 N ALA A 28 20.242 7.438 -0.382 1.00 0.23 N ATOM 407 CA ALA A 28 19.281 8.458 -0.774 1.00 0.25 C ATOM 408 C ALA A 28 17.970 7.830 -1.244 1.00 0.25 C ATOM 409 O ALA A 28 17.969 6.910 -2.063 1.00 0.28 O ATOM 410 CB ALA A 28 19.870 9.342 -1.863 1.00 0.31 C ATOM 0 H ALA A 28 21.020 7.320 -1.031 1.00 0.23 H new ATOM 0 HA ALA A 28 19.062 9.073 0.099 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.142 10.101 -2.148 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.772 9.826 -1.490 1.00 0.31 H new ATOM 0 HB3 ALA A 28 20.118 8.732 -2.732 1.00 0.31 H new ATOM 416 N THR A 29 16.859 8.332 -0.711 1.00 0.28 N ATOM 417 CA THR A 29 15.531 7.836 -1.065 1.00 0.31 C ATOM 418 C THR A 29 15.262 7.982 -2.557 1.00 0.32 C ATOM 419 O THR A 29 14.519 7.195 -3.143 1.00 0.34 O ATOM 420 CB THR A 29 14.431 8.585 -0.291 1.00 0.39 C ATOM 421 OG1 THR A 29 14.439 9.973 -0.648 1.00 0.40 O ATOM 422 CG2 THR A 29 14.635 8.444 1.209 1.00 0.43 C ATOM 0 H THR A 29 16.853 9.088 -0.027 1.00 0.28 H new ATOM 0 HA THR A 29 15.511 6.780 -0.796 1.00 0.31 H new ATOM 0 HB THR A 29 13.469 8.147 -0.555 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.735 10.442 -0.153 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.846 8.981 1.736 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.601 7.390 1.483 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.604 8.860 1.485 1.00 0.43 H new ATOM 430 N ARG A 30 15.866 8.999 -3.166 1.00 0.35 N ATOM 431 CA ARG A 30 15.692 9.251 -4.592 1.00 0.40 C ATOM 432 C ARG A 30 16.258 8.099 -5.418 1.00 0.40 C ATOM 433 O ARG A 30 16.048 8.028 -6.628 1.00 0.52 O ATOM 434 CB ARG A 30 16.376 10.562 -4.986 1.00 0.46 C ATOM 435 CG ARG A 30 15.841 11.773 -4.239 1.00 0.50 C ATOM 436 CD ARG A 30 16.517 13.055 -4.697 1.00 0.73 C ATOM 437 NE ARG A 30 16.292 13.316 -6.117 1.00 1.71 N ATOM 438 CZ ARG A 30 16.511 14.494 -6.695 1.00 2.26 C ATOM 439 NH1 ARG A 30 16.960 15.517 -5.979 1.00 2.04 N ATOM 440 NH2 ARG A 30 16.279 14.650 -7.991 1.00 3.39 N ATOM 0 H ARG A 30 16.480 9.662 -2.693 1.00 0.35 H new ATOM 0 HA ARG A 30 14.624 9.332 -4.796 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.446 10.474 -4.800 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.250 10.721 -6.057 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.765 11.852 -4.396 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.998 11.640 -3.169 1.00 0.50 H new ATOM 0 HD2 ARG A 30 16.140 13.893 -4.110 1.00 0.73 H new ATOM 0 HD3 ARG A 30 17.588 12.988 -4.506 1.00 0.73 H new ATOM 0 HE ARG A 30 15.948 12.552 -6.698 1.00 1.71 H new ATOM 0 HH11 ARG A 30 17.139 15.402 -4.981 1.00 2.04 H new ATOM 0 HH12 ARG A 30 17.127 16.418 -6.426 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.933 13.867 -8.545 1.00 3.39 H new ATOM 0 HH22 ARG A 30 16.447 15.553 -8.434 1.00 3.39 H new ATOM 454 N GLU A 31 16.973 7.199 -4.752 1.00 0.33 N ATOM 455 CA GLU A 31 17.572 6.048 -5.417 1.00 0.36 C ATOM 456 C GLU A 31 16.869 4.761 -5.007 1.00 0.31 C ATOM 457 O GLU A 31 17.045 3.719 -5.639 1.00 0.33 O ATOM 458 CB GLU A 31 19.060 5.948 -5.078 1.00 0.42 C ATOM 459 CG GLU A 31 19.705 7.284 -4.749 1.00 0.52 C ATOM 460 CD GLU A 31 21.210 7.182 -4.595 1.00 1.10 C ATOM 461 OE1 GLU A 31 21.918 7.257 -5.622 1.00 1.12 O ATOM 462 OE2 GLU A 31 21.681 7.027 -3.448 1.00 2.01 O ATOM 0 H GLU A 31 17.152 7.245 -3.749 1.00 0.33 H new ATOM 0 HA GLU A 31 17.458 6.186 -6.492 1.00 0.36 H new ATOM 0 HB2 GLU A 31 19.185 5.276 -4.229 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.586 5.499 -5.921 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.472 8.000 -5.537 1.00 0.52 H new ATOM 0 HG3 GLU A 31 19.275 7.674 -3.827 1.00 0.52 H new ATOM 469 N LEU A 32 16.075 4.838 -3.941 1.00 0.31 N ATOM 470 CA LEU A 32 15.353 3.674 -3.444 1.00 0.33 C ATOM 471 C LEU A 32 14.473 3.070 -4.531 1.00 0.29 C ATOM 472 O LEU A 32 14.464 1.856 -4.719 1.00 0.29 O ATOM 473 CB LEU A 32 14.500 4.041 -2.227 1.00 0.40 C ATOM 474 CG LEU A 32 13.766 2.865 -1.577 1.00 0.57 C ATOM 475 CD1 LEU A 32 14.758 1.849 -1.032 1.00 1.39 C ATOM 476 CD2 LEU A 32 12.846 3.355 -0.471 1.00 1.39 C ATOM 0 H LEU A 32 15.917 5.693 -3.408 1.00 0.31 H new ATOM 0 HA LEU A 32 16.092 2.931 -3.144 1.00 0.33 H new ATOM 0 HB2 LEU A 32 15.141 4.508 -1.480 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.765 4.788 -2.528 1.00 0.40 H new ATOM 0 HG LEU A 32 13.159 2.378 -2.340 1.00 0.57 H new ATOM 0 HD11 LEU A 32 14.216 1.021 -0.574 1.00 1.39 H new ATOM 0 HD12 LEU A 32 15.377 1.472 -1.846 1.00 1.39 H new ATOM 0 HD13 LEU A 32 15.393 2.325 -0.284 1.00 1.39 H new ATOM 0 HD21 LEU A 32 12.333 2.505 -0.021 1.00 1.39 H new ATOM 0 HD22 LEU A 32 13.433 3.869 0.290 1.00 1.39 H new ATOM 0 HD23 LEU A 32 12.111 4.043 -0.888 1.00 1.39 H new ATOM 488 N GLY A 33 13.733 3.919 -5.242 1.00 0.33 N ATOM 489 CA GLY A 33 12.870 3.433 -6.306 1.00 0.35 C ATOM 490 C GLY A 33 13.616 2.521 -7.257 1.00 0.33 C ATOM 491 O GLY A 33 13.147 1.428 -7.581 1.00 0.41 O ATOM 0 H GLY A 33 13.716 4.929 -5.101 1.00 0.33 H new ATOM 0 HA2 GLY A 33 12.026 2.896 -5.874 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.461 4.279 -6.858 1.00 0.35 H new ATOM 495 N THR A 34 14.786 2.971 -7.702 1.00 0.30 N ATOM 496 CA THR A 34 15.611 2.180 -8.602 1.00 0.31 C ATOM 497 C THR A 34 16.023 0.886 -7.917 1.00 0.27 C ATOM 498 O THR A 34 16.189 -0.149 -8.563 1.00 0.30 O ATOM 499 CB THR A 34 16.872 2.951 -9.039 1.00 0.37 C ATOM 500 OG1 THR A 34 16.507 4.223 -9.587 1.00 0.42 O ATOM 501 CG2 THR A 34 17.663 2.159 -10.071 1.00 0.41 C ATOM 0 H THR A 34 15.181 3.878 -7.453 1.00 0.30 H new ATOM 0 HA THR A 34 15.020 1.961 -9.491 1.00 0.31 H new ATOM 0 HB THR A 34 17.498 3.101 -8.160 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.315 4.706 -9.860 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.548 2.724 -10.363 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.968 1.204 -9.642 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.041 1.980 -10.948 1.00 0.41 H new ATOM 509 N LEU A 35 16.184 0.960 -6.598 1.00 0.27 N ATOM 510 CA LEU A 35 16.562 -0.199 -5.801 1.00 0.30 C ATOM 511 C LEU A 35 15.402 -1.188 -5.725 1.00 0.31 C ATOM 512 O LEU A 35 15.605 -2.386 -5.535 1.00 0.37 O ATOM 513 CB LEU A 35 16.983 0.245 -4.394 1.00 0.35 C ATOM 514 CG LEU A 35 17.369 -0.878 -3.429 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.482 -1.734 -4.012 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.794 -0.293 -2.091 1.00 1.25 C ATOM 0 H LEU A 35 16.057 1.816 -6.058 1.00 0.27 H new ATOM 0 HA LEU A 35 17.408 -0.695 -6.277 1.00 0.30 H new ATOM 0 HB2 LEU A 35 17.829 0.926 -4.486 1.00 0.35 H new ATOM 0 HB3 LEU A 35 16.164 0.812 -3.952 1.00 0.35 H new ATOM 0 HG LEU A 35 16.498 -1.515 -3.275 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.739 -2.525 -3.308 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.147 -2.177 -4.950 1.00 1.23 H new ATOM 0 HD13 LEU A 35 19.359 -1.114 -4.197 1.00 1.23 H new ATOM 0 HD21 LEU A 35 18.067 -1.100 -1.411 1.00 1.25 H new ATOM 0 HD22 LEU A 35 18.652 0.364 -2.237 1.00 1.25 H new ATOM 0 HD23 LEU A 35 16.969 0.277 -1.665 1.00 1.25 H new ATOM 528 N MET A 36 14.183 -0.671 -5.879 1.00 0.35 N ATOM 529 CA MET A 36 12.989 -1.507 -5.846 1.00 0.43 C ATOM 530 C MET A 36 12.798 -2.199 -7.190 1.00 0.43 C ATOM 531 O MET A 36 12.167 -3.252 -7.274 1.00 0.54 O ATOM 532 CB MET A 36 11.748 -0.672 -5.506 1.00 0.56 C ATOM 533 CG MET A 36 11.916 0.228 -4.289 1.00 0.59 C ATOM 534 SD MET A 36 12.614 -0.633 -2.866 1.00 1.21 S ATOM 535 CE MET A 36 11.179 -1.517 -2.262 1.00 0.72 C ATOM 0 H MET A 36 13.999 0.321 -6.027 1.00 0.35 H new ATOM 0 HA MET A 36 13.120 -2.261 -5.070 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.492 -0.055 -6.367 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.907 -1.344 -5.334 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.561 1.067 -4.551 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.946 0.644 -4.015 1.00 0.59 H new ATOM 0 HE1 MET A 36 11.430 -2.026 -1.332 1.00 0.72 H new ATOM 0 HE2 MET A 36 10.367 -0.813 -2.082 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.865 -2.251 -3.004 1.00 0.72 H new ATOM 545 N ARG A 37 13.343 -1.590 -8.242 1.00 0.42 N ATOM 546 CA ARG A 37 13.245 -2.149 -9.587 1.00 0.47 C ATOM 547 C ARG A 37 14.213 -3.315 -9.760 1.00 0.43 C ATOM 548 O ARG A 37 13.827 -4.389 -10.223 1.00 0.47 O ATOM 549 CB ARG A 37 13.529 -1.071 -10.635 1.00 0.55 C ATOM 550 CG ARG A 37 12.504 0.051 -10.647 1.00 0.95 C ATOM 551 CD ARG A 37 12.796 1.061 -11.745 1.00 1.20 C ATOM 552 NE ARG A 37 11.787 2.116 -11.799 1.00 1.99 N ATOM 553 CZ ARG A 37 11.553 2.861 -12.875 1.00 2.52 C ATOM 554 NH1 ARG A 37 12.255 2.673 -13.984 1.00 2.46 N ATOM 555 NH2 ARG A 37 10.613 3.797 -12.843 1.00 3.51 N ATOM 0 H ARG A 37 13.856 -0.710 -8.188 1.00 0.42 H new ATOM 0 HA ARG A 37 12.229 -2.519 -9.728 1.00 0.47 H new ATOM 0 HB2 ARG A 37 14.516 -0.648 -10.450 1.00 0.55 H new ATOM 0 HB3 ARG A 37 13.560 -1.534 -11.621 1.00 0.55 H new ATOM 0 HG2 ARG A 37 11.508 -0.367 -10.791 1.00 0.95 H new ATOM 0 HG3 ARG A 37 12.502 0.554 -9.680 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.777 1.506 -11.577 1.00 1.20 H new ATOM 0 HD3 ARG A 37 12.838 0.550 -12.707 1.00 1.20 H new ATOM 0 HE ARG A 37 11.230 2.291 -10.963 1.00 1.99 H new ATOM 0 HH11 ARG A 37 12.978 1.954 -14.014 1.00 2.46 H new ATOM 0 HH12 ARG A 37 12.072 3.247 -14.807 1.00 2.46 H new ATOM 0 HH21 ARG A 37 10.070 3.945 -11.993 1.00 3.51 H new ATOM 0 HH22 ARG A 37 10.434 4.368 -13.669 1.00 3.51 H new ATOM 569 N THR A 38 15.473 -3.099 -9.386 1.00 0.39 N ATOM 570 CA THR A 38 16.493 -4.138 -9.493 1.00 0.39 C ATOM 571 C THR A 38 16.136 -5.338 -8.622 1.00 0.36 C ATOM 572 O THR A 38 16.715 -6.416 -8.760 1.00 0.39 O ATOM 573 CB THR A 38 17.889 -3.616 -9.100 1.00 0.40 C ATOM 574 OG1 THR A 38 18.802 -4.710 -8.955 1.00 0.46 O ATOM 575 CG2 THR A 38 17.831 -2.822 -7.805 1.00 0.32 C ATOM 0 H THR A 38 15.811 -2.214 -9.007 1.00 0.39 H new ATOM 0 HA THR A 38 16.524 -4.444 -10.539 1.00 0.39 H new ATOM 0 HB THR A 38 18.238 -2.956 -9.894 1.00 0.40 H new ATOM 0 HG1 THR A 38 18.300 -5.550 -8.902 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.830 -2.466 -7.552 1.00 0.32 H new ATOM 0 HG22 THR A 38 17.163 -1.970 -7.930 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.459 -3.460 -7.003 1.00 0.32 H new ATOM 583 N LEU A 39 15.177 -5.138 -7.725 1.00 0.33 N ATOM 584 CA LEU A 39 14.720 -6.193 -6.831 1.00 0.34 C ATOM 585 C LEU A 39 13.277 -6.565 -7.147 1.00 0.40 C ATOM 586 O LEU A 39 12.531 -5.767 -7.712 1.00 0.43 O ATOM 587 CB LEU A 39 14.824 -5.749 -5.371 1.00 0.32 C ATOM 588 CG LEU A 39 16.169 -6.024 -4.694 1.00 0.44 C ATOM 589 CD1 LEU A 39 17.238 -5.081 -5.217 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.037 -5.894 -3.188 1.00 1.15 C ATOM 0 H LEU A 39 14.698 -4.246 -7.598 1.00 0.33 H new ATOM 0 HA LEU A 39 15.359 -7.063 -6.982 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.623 -4.679 -5.319 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.041 -6.248 -4.801 1.00 0.32 H new ATOM 0 HG LEU A 39 16.470 -7.044 -4.931 1.00 0.44 H new ATOM 0 HD11 LEU A 39 18.185 -5.295 -4.722 1.00 1.05 H new ATOM 0 HD12 LEU A 39 17.351 -5.220 -6.292 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.946 -4.051 -5.013 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.001 -6.092 -2.720 1.00 1.15 H new ATOM 0 HD22 LEU A 39 15.713 -4.884 -2.937 1.00 1.15 H new ATOM 0 HD23 LEU A 39 15.302 -6.612 -2.824 1.00 1.15 H new ATOM 602 N GLY A 40 12.893 -7.785 -6.788 1.00 0.45 N ATOM 603 CA GLY A 40 11.538 -8.240 -7.041 1.00 0.52 C ATOM 604 C GLY A 40 10.502 -7.444 -6.270 1.00 0.49 C ATOM 605 O GLY A 40 9.305 -7.708 -6.374 1.00 0.64 O ATOM 0 H GLY A 40 13.495 -8.467 -6.327 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.327 -8.166 -8.108 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.456 -9.293 -6.772 1.00 0.52 H new ATOM 609 N GLN A 41 10.968 -6.471 -5.493 1.00 0.46 N ATOM 610 CA GLN A 41 10.079 -5.627 -4.703 1.00 0.44 C ATOM 611 C GLN A 41 9.271 -4.697 -5.599 1.00 0.48 C ATOM 612 O GLN A 41 9.615 -4.481 -6.761 1.00 1.01 O ATOM 613 CB GLN A 41 10.886 -4.811 -3.692 1.00 0.48 C ATOM 614 CG GLN A 41 11.250 -5.584 -2.435 1.00 0.54 C ATOM 615 CD GLN A 41 11.785 -6.972 -2.735 1.00 1.55 C ATOM 616 OE1 GLN A 41 13.092 -7.069 -2.952 1.00 2.37 O flip ATOM 617 NE2 GLN A 41 11.033 -7.945 -2.777 1.00 2.20 N flip ATOM 0 H GLN A 41 11.958 -6.248 -5.394 1.00 0.46 H new ATOM 0 HA GLN A 41 9.385 -6.274 -4.167 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.801 -4.459 -4.169 1.00 0.48 H new ATOM 0 HB3 GLN A 41 10.313 -3.927 -3.411 1.00 0.48 H new ATOM 0 HG2 GLN A 41 11.998 -5.024 -1.873 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.370 -5.668 -1.798 1.00 0.54 H new ATOM 0 HE21 GLN A 41 10.035 -7.826 -2.604 1.00 2.20 H new ATOM 0 HE22 GLN A 41 11.408 -8.871 -2.985 1.00 2.20 H new ATOM 626 N ASN A 42 8.194 -4.148 -5.047 1.00 0.52 N ATOM 627 CA ASN A 42 7.327 -3.242 -5.788 1.00 0.53 C ATOM 628 C ASN A 42 6.424 -2.460 -4.834 1.00 0.51 C ATOM 629 O ASN A 42 5.235 -2.754 -4.710 1.00 0.59 O ATOM 630 CB ASN A 42 6.483 -4.028 -6.792 1.00 0.66 C ATOM 631 CG ASN A 42 5.935 -5.312 -6.202 1.00 1.27 C ATOM 632 OD1 ASN A 42 5.612 -5.378 -5.016 1.00 2.15 O ATOM 633 ND2 ASN A 42 5.839 -6.346 -7.028 1.00 1.71 N ATOM 0 H ASN A 42 7.901 -4.316 -4.085 1.00 0.52 H new ATOM 0 HA ASN A 42 7.950 -2.531 -6.330 1.00 0.53 H new ATOM 0 HB2 ASN A 42 5.656 -3.406 -7.134 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.089 -4.262 -7.668 1.00 0.66 H new ATOM 0 HD21 ASN A 42 5.486 -7.240 -6.687 1.00 1.71 H new ATOM 0 HD22 ASN A 42 6.118 -6.247 -8.004 1.00 1.71 H new ATOM 640 N PRO A 43 6.983 -1.446 -4.148 1.00 0.47 N ATOM 641 CA PRO A 43 6.230 -0.618 -3.197 1.00 0.54 C ATOM 642 C PRO A 43 5.091 0.142 -3.864 1.00 0.54 C ATOM 643 O PRO A 43 5.201 0.559 -5.016 1.00 0.64 O ATOM 644 CB PRO A 43 7.280 0.363 -2.663 1.00 0.53 C ATOM 645 CG PRO A 43 8.344 0.380 -3.705 1.00 0.46 C ATOM 646 CD PRO A 43 8.390 -1.016 -4.246 1.00 0.45 C ATOM 0 HA PRO A 43 5.757 -1.222 -2.423 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.855 1.356 -2.514 1.00 0.53 H new ATOM 0 HB3 PRO A 43 7.673 0.037 -1.700 1.00 0.53 H new ATOM 0 HG2 PRO A 43 8.113 1.099 -4.491 1.00 0.46 H new ATOM 0 HG3 PRO A 43 9.305 0.669 -3.281 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.751 -1.040 -5.274 1.00 0.45 H new ATOM 0 HD3 PRO A 43 9.051 -1.656 -3.661 1.00 0.45 H new ATOM 654 N THR A 44 3.995 0.316 -3.130 1.00 0.59 N ATOM 655 CA THR A 44 2.838 1.033 -3.646 1.00 0.65 C ATOM 656 C THR A 44 3.220 2.457 -4.036 1.00 0.57 C ATOM 657 O THR A 44 4.027 3.092 -3.357 1.00 0.51 O ATOM 658 CB THR A 44 1.698 1.078 -2.609 1.00 0.78 C ATOM 659 OG1 THR A 44 1.397 -0.247 -2.156 1.00 1.05 O ATOM 660 CG2 THR A 44 0.448 1.707 -3.205 1.00 1.02 C ATOM 0 H THR A 44 3.886 -0.030 -2.177 1.00 0.59 H new ATOM 0 HA THR A 44 2.488 0.495 -4.527 1.00 0.65 H new ATOM 0 HB THR A 44 2.027 1.687 -1.767 1.00 0.78 H new ATOM 0 HG1 THR A 44 0.673 -0.211 -1.496 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.342 1.728 -2.455 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.670 2.725 -3.526 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.119 1.120 -4.062 1.00 1.02 H new ATOM 668 N GLU A 45 2.647 2.949 -5.130 1.00 0.61 N ATOM 669 CA GLU A 45 2.943 4.297 -5.610 1.00 0.61 C ATOM 670 C GLU A 45 2.922 5.310 -4.469 1.00 0.60 C ATOM 671 O GLU A 45 3.881 6.060 -4.275 1.00 0.56 O ATOM 672 CB GLU A 45 1.943 4.713 -6.694 1.00 0.75 C ATOM 673 CG GLU A 45 2.055 3.902 -7.976 1.00 1.33 C ATOM 674 CD GLU A 45 1.571 2.473 -7.813 1.00 2.16 C ATOM 675 OE1 GLU A 45 0.349 2.245 -7.926 1.00 2.69 O ATOM 676 OE2 GLU A 45 2.415 1.585 -7.576 1.00 2.64 O ATOM 0 H GLU A 45 1.976 2.436 -5.701 1.00 0.61 H new ATOM 0 HA GLU A 45 3.946 4.282 -6.036 1.00 0.61 H new ATOM 0 HB2 GLU A 45 0.932 4.614 -6.300 1.00 0.75 H new ATOM 0 HB3 GLU A 45 2.092 5.767 -6.928 1.00 0.75 H new ATOM 0 HG2 GLU A 45 1.476 4.389 -8.760 1.00 1.33 H new ATOM 0 HG3 GLU A 45 3.094 3.893 -8.305 1.00 1.33 H new ATOM 683 N ALA A 46 1.828 5.322 -3.716 1.00 0.66 N ATOM 684 CA ALA A 46 1.681 6.243 -2.595 1.00 0.70 C ATOM 685 C ALA A 46 2.766 6.031 -1.546 1.00 0.64 C ATOM 686 O ALA A 46 3.283 6.991 -0.978 1.00 0.66 O ATOM 687 CB ALA A 46 0.310 6.086 -1.961 1.00 0.83 C ATOM 0 H ALA A 46 1.030 4.704 -3.861 1.00 0.66 H new ATOM 0 HA ALA A 46 1.785 7.255 -2.985 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.214 6.779 -1.126 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.460 6.301 -2.702 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.191 5.064 -1.600 1.00 0.83 H new ATOM 693 N GLU A 47 3.107 4.770 -1.295 1.00 0.62 N ATOM 694 CA GLU A 47 4.123 4.437 -0.301 1.00 0.62 C ATOM 695 C GLU A 47 5.466 5.055 -0.668 1.00 0.50 C ATOM 696 O GLU A 47 6.088 5.738 0.145 1.00 0.48 O ATOM 697 CB GLU A 47 4.264 2.919 -0.169 1.00 0.69 C ATOM 698 CG GLU A 47 5.229 2.491 0.926 1.00 0.75 C ATOM 699 CD GLU A 47 5.342 0.985 1.047 1.00 1.31 C ATOM 700 OE1 GLU A 47 6.174 0.393 0.327 1.00 2.23 O ATOM 701 OE2 GLU A 47 4.597 0.396 1.859 1.00 1.34 O ATOM 0 H GLU A 47 2.696 3.964 -1.765 1.00 0.62 H new ATOM 0 HA GLU A 47 3.804 4.848 0.657 1.00 0.62 H new ATOM 0 HB2 GLU A 47 3.284 2.487 0.033 1.00 0.69 H new ATOM 0 HB3 GLU A 47 4.603 2.510 -1.121 1.00 0.69 H new ATOM 0 HG2 GLU A 47 6.214 2.910 0.721 1.00 0.75 H new ATOM 0 HG3 GLU A 47 4.898 2.905 1.879 1.00 0.75 H new ATOM 708 N LEU A 48 5.903 4.813 -1.900 1.00 0.45 N ATOM 709 CA LEU A 48 7.174 5.344 -2.381 1.00 0.39 C ATOM 710 C LEU A 48 7.200 6.863 -2.247 1.00 0.35 C ATOM 711 O LEU A 48 8.242 7.462 -1.972 1.00 0.34 O ATOM 712 CB LEU A 48 7.391 4.937 -3.841 1.00 0.40 C ATOM 713 CG LEU A 48 8.799 5.183 -4.387 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.808 4.284 -3.690 1.00 1.42 C ATOM 715 CD2 LEU A 48 8.830 4.952 -5.890 1.00 1.39 C ATOM 0 H LEU A 48 5.395 4.252 -2.584 1.00 0.45 H new ATOM 0 HA LEU A 48 7.980 4.930 -1.775 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.160 3.877 -3.943 1.00 0.40 H new ATOM 0 HB3 LEU A 48 6.679 5.480 -4.462 1.00 0.40 H new ATOM 0 HG LEU A 48 9.070 6.220 -4.189 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.803 4.474 -4.092 1.00 1.42 H new ATOM 0 HD12 LEU A 48 9.803 4.492 -2.620 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.542 3.240 -3.857 1.00 1.42 H new ATOM 0 HD21 LEU A 48 9.838 5.131 -6.265 1.00 1.39 H new ATOM 0 HD22 LEU A 48 8.539 3.924 -6.106 1.00 1.39 H new ATOM 0 HD23 LEU A 48 8.135 5.636 -6.378 1.00 1.39 H new ATOM 727 N GLN A 49 6.037 7.476 -2.433 1.00 0.45 N ATOM 728 CA GLN A 49 5.904 8.923 -2.331 1.00 0.52 C ATOM 729 C GLN A 49 5.898 9.367 -0.874 1.00 0.54 C ATOM 730 O GLN A 49 6.315 10.477 -0.552 1.00 0.58 O ATOM 731 CB GLN A 49 4.613 9.375 -3.007 1.00 0.67 C ATOM 732 CG GLN A 49 4.601 9.155 -4.511 1.00 0.70 C ATOM 733 CD GLN A 49 5.661 9.970 -5.229 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.028 11.058 -4.787 1.00 1.21 O ATOM 735 NE2 GLN A 49 6.157 9.445 -6.342 1.00 1.02 N ATOM 0 H GLN A 49 5.169 6.990 -2.656 1.00 0.45 H new ATOM 0 HA GLN A 49 6.758 9.380 -2.830 1.00 0.52 H new ATOM 0 HB2 GLN A 49 3.774 8.839 -2.564 1.00 0.67 H new ATOM 0 HB3 GLN A 49 4.458 10.434 -2.802 1.00 0.67 H new ATOM 0 HG2 GLN A 49 4.758 8.097 -4.721 1.00 0.70 H new ATOM 0 HG3 GLN A 49 3.619 9.416 -4.905 1.00 0.70 H new ATOM 0 HE21 GLN A 49 5.823 8.539 -6.672 1.00 1.02 H new ATOM 0 HE22 GLN A 49 6.872 9.947 -6.868 1.00 1.02 H new ATOM 744 N ASP A 50 5.420 8.488 0.000 1.00 0.59 N ATOM 745 CA ASP A 50 5.350 8.787 1.425 1.00 0.68 C ATOM 746 C ASP A 50 6.743 8.939 2.016 1.00 0.59 C ATOM 747 O ASP A 50 7.014 9.890 2.749 1.00 0.57 O ATOM 748 CB ASP A 50 4.583 7.692 2.169 1.00 0.88 C ATOM 749 CG ASP A 50 3.097 7.721 1.872 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.488 8.805 1.992 1.00 1.09 O ATOM 751 OD2 ASP A 50 2.542 6.661 1.513 1.00 1.19 O ATOM 0 H ASP A 50 5.075 7.562 -0.254 1.00 0.59 H new ATOM 0 HA ASP A 50 4.818 9.731 1.543 1.00 0.68 H new ATOM 0 HB2 ASP A 50 4.987 6.718 1.892 1.00 0.88 H new ATOM 0 HB3 ASP A 50 4.738 7.809 3.242 1.00 0.88 H new ATOM 756 N LEU A 51 7.626 7.998 1.697 1.00 0.60 N ATOM 757 CA LEU A 51 8.991 8.044 2.198 1.00 0.64 C ATOM 758 C LEU A 51 9.744 9.229 1.612 1.00 0.54 C ATOM 759 O LEU A 51 10.456 9.935 2.323 1.00 0.64 O ATOM 760 CB LEU A 51 9.741 6.759 1.879 1.00 0.76 C ATOM 761 CG LEU A 51 9.417 6.142 0.531 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.656 6.093 -0.349 1.00 0.86 C ATOM 763 CD2 LEU A 51 8.843 4.756 0.737 1.00 0.84 C ATOM 0 H LEU A 51 7.420 7.199 1.097 1.00 0.60 H new ATOM 0 HA LEU A 51 8.934 8.156 3.281 1.00 0.64 H new ATOM 0 HB2 LEU A 51 10.811 6.961 1.921 1.00 0.76 H new ATOM 0 HB3 LEU A 51 9.524 6.027 2.657 1.00 0.76 H new ATOM 0 HG LEU A 51 8.676 6.759 0.023 1.00 0.40 H new ATOM 0 HD11 LEU A 51 10.402 5.647 -1.311 1.00 0.86 H new ATOM 0 HD12 LEU A 51 11.031 7.104 -0.506 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.424 5.492 0.138 1.00 0.86 H new ATOM 0 HD21 LEU A 51 8.610 4.311 -0.230 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.572 4.134 1.256 1.00 0.84 H new ATOM 0 HD23 LEU A 51 7.934 4.824 1.334 1.00 0.84 H new ATOM 775 N ILE A 52 9.589 9.439 0.307 1.00 0.44 N ATOM 776 CA ILE A 52 10.261 10.544 -0.367 1.00 0.48 C ATOM 777 C ILE A 52 9.728 11.888 0.105 1.00 0.53 C ATOM 778 O ILE A 52 10.445 12.881 0.084 1.00 0.68 O ATOM 779 CB ILE A 52 10.104 10.463 -1.896 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.755 9.186 -2.431 1.00 0.48 C ATOM 781 CG2 ILE A 52 10.708 11.698 -2.553 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.492 8.937 -3.899 1.00 0.54 C ATOM 0 H ILE A 52 9.008 8.862 -0.301 1.00 0.44 H new ATOM 0 HA ILE A 52 11.317 10.459 -0.112 1.00 0.48 H new ATOM 0 HB ILE A 52 9.042 10.430 -2.140 1.00 0.48 H new ATOM 0 HG12 ILE A 52 11.831 9.242 -2.269 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.390 8.335 -1.856 1.00 0.48 H new ATOM 0 HG21 ILE A 52 10.591 11.629 -3.634 1.00 0.67 H new ATOM 0 HG22 ILE A 52 10.198 12.590 -2.189 1.00 0.67 H new ATOM 0 HG23 ILE A 52 11.768 11.760 -2.306 1.00 0.67 H new ATOM 0 HD11 ILE A 52 10.985 8.015 -4.206 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.419 8.848 -4.066 1.00 0.54 H new ATOM 0 HD13 ILE A 52 10.882 9.769 -4.485 1.00 0.54 H new ATOM 794 N ALA A 53 8.466 11.919 0.517 1.00 0.50 N ATOM 795 CA ALA A 53 7.855 13.157 0.986 1.00 0.60 C ATOM 796 C ALA A 53 8.339 13.513 2.386 1.00 0.64 C ATOM 797 O ALA A 53 8.693 14.660 2.658 1.00 0.73 O ATOM 798 CB ALA A 53 6.339 13.046 0.959 1.00 0.67 C ATOM 0 H ALA A 53 7.849 11.107 0.536 1.00 0.50 H new ATOM 0 HA ALA A 53 8.158 13.958 0.312 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.900 13.979 1.312 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.007 12.851 -0.061 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.022 12.228 1.606 1.00 0.67 H new ATOM 804 N GLU A 54 8.354 12.524 3.274 1.00 0.63 N ATOM 805 CA GLU A 54 8.806 12.740 4.642 1.00 0.72 C ATOM 806 C GLU A 54 10.311 12.981 4.667 1.00 0.66 C ATOM 807 O GLU A 54 10.802 13.842 5.397 1.00 0.72 O ATOM 808 CB GLU A 54 8.447 11.539 5.522 1.00 0.81 C ATOM 809 CG GLU A 54 9.090 10.237 5.073 1.00 1.18 C ATOM 810 CD GLU A 54 8.671 9.057 5.925 1.00 1.71 C ATOM 811 OE1 GLU A 54 7.607 8.468 5.640 1.00 1.82 O ATOM 812 OE2 GLU A 54 9.406 8.721 6.876 1.00 2.45 O ATOM 0 H GLU A 54 8.059 11.569 3.071 1.00 0.63 H new ATOM 0 HA GLU A 54 8.302 13.622 5.038 1.00 0.72 H new ATOM 0 HB2 GLU A 54 8.750 11.748 6.548 1.00 0.81 H new ATOM 0 HB3 GLU A 54 7.364 11.416 5.528 1.00 0.81 H new ATOM 0 HG2 GLU A 54 8.823 10.043 4.034 1.00 1.18 H new ATOM 0 HG3 GLU A 54 10.175 10.340 5.109 1.00 1.18 H new ATOM 819 N ALA A 55 11.037 12.209 3.862 1.00 0.58 N ATOM 820 CA ALA A 55 12.487 12.335 3.776 1.00 0.56 C ATOM 821 C ALA A 55 12.881 13.495 2.867 1.00 0.58 C ATOM 822 O ALA A 55 14.037 13.920 2.853 1.00 0.62 O ATOM 823 CB ALA A 55 13.100 11.036 3.275 1.00 0.56 C ATOM 0 H ALA A 55 10.642 11.488 3.259 1.00 0.58 H new ATOM 0 HA ALA A 55 12.871 12.542 4.775 1.00 0.56 H new ATOM 0 HB1 ALA A 55 14.183 11.144 3.215 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.853 10.228 3.964 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.704 10.804 2.286 1.00 0.56 H new ATOM 829 N GLU A 56 11.908 13.991 2.104 1.00 0.59 N ATOM 830 CA GLU A 56 12.131 15.093 1.168 1.00 0.65 C ATOM 831 C GLU A 56 12.974 16.195 1.796 1.00 0.72 C ATOM 832 O GLU A 56 14.011 16.585 1.257 1.00 0.77 O ATOM 833 CB GLU A 56 10.796 15.683 0.710 1.00 0.72 C ATOM 834 CG GLU A 56 10.890 16.461 -0.593 1.00 0.82 C ATOM 835 CD GLU A 56 9.564 17.071 -1.003 1.00 1.52 C ATOM 836 OE1 GLU A 56 9.287 18.219 -0.595 1.00 2.45 O ATOM 837 OE2 GLU A 56 8.803 16.402 -1.734 1.00 1.79 O ATOM 0 H GLU A 56 10.949 13.644 2.116 1.00 0.59 H new ATOM 0 HA GLU A 56 12.668 14.688 0.311 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.073 14.876 0.590 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.412 16.341 1.490 1.00 0.72 H new ATOM 0 HG2 GLU A 56 11.633 17.252 -0.487 1.00 0.82 H new ATOM 0 HG3 GLU A 56 11.241 15.798 -1.384 1.00 0.82 H new ATOM 844 N ASN A 57 12.518 16.696 2.938 1.00 0.77 N ATOM 845 CA ASN A 57 13.217 17.762 3.641 1.00 0.88 C ATOM 846 C ASN A 57 13.334 17.450 5.129 1.00 0.82 C ATOM 847 O ASN A 57 12.496 17.863 5.930 1.00 1.21 O ATOM 848 CB ASN A 57 12.481 19.085 3.434 1.00 1.17 C ATOM 849 CG ASN A 57 12.497 19.527 1.983 1.00 1.21 C ATOM 850 OD1 ASN A 57 11.689 18.874 1.152 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 13.239 20.436 1.609 1.00 1.19 N flip ATOM 0 H ASN A 57 11.664 16.379 3.397 1.00 0.77 H new ATOM 0 HA ASN A 57 14.225 17.843 3.234 1.00 0.88 H new ATOM 0 HB2 ASN A 57 11.449 18.981 3.769 1.00 1.17 H new ATOM 0 HB3 ASN A 57 12.941 19.856 4.052 1.00 1.17 H new ATOM 0 HD21 ASN A 57 13.843 20.910 2.280 1.00 1.19 H new ATOM 0 HD22 ASN A 57 13.250 20.715 0.628 1.00 1.19 H new ATOM 858 N ASN A 58 14.384 16.717 5.489 1.00 1.05 N ATOM 859 CA ASN A 58 14.620 16.343 6.878 1.00 1.01 C ATOM 860 C ASN A 58 16.041 15.822 7.062 1.00 0.95 C ATOM 861 O ASN A 58 16.641 15.987 8.124 1.00 1.57 O ATOM 862 CB ASN A 58 13.612 15.280 7.320 1.00 1.04 C ATOM 863 CG ASN A 58 13.831 14.834 8.753 1.00 1.42 C ATOM 864 OD1 ASN A 58 14.564 13.880 9.014 1.00 1.82 O ATOM 865 ND2 ASN A 58 13.193 15.524 9.692 1.00 1.89 N ATOM 0 H ASN A 58 15.086 16.370 4.835 1.00 1.05 H new ATOM 0 HA ASN A 58 14.493 17.231 7.497 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.602 15.676 7.216 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.685 14.417 6.659 1.00 1.04 H new ATOM 0 HD21 ASN A 58 13.301 15.270 10.674 1.00 1.89 H new ATOM 0 HD22 ASN A 58 12.595 16.308 9.431 1.00 1.89 H new ATOM 872 N ASN A 59 16.572 15.192 6.018 1.00 0.75 N ATOM 873 CA ASN A 59 17.923 14.645 6.058 1.00 0.73 C ATOM 874 C ASN A 59 18.389 14.252 4.656 1.00 0.84 C ATOM 875 O ASN A 59 18.829 13.126 4.428 1.00 1.76 O ATOM 876 CB ASN A 59 17.974 13.436 6.999 1.00 0.76 C ATOM 877 CG ASN A 59 17.012 12.339 6.591 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.511 11.374 5.831 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.838 12.355 6.961 1.00 0.92 N flip ATOM 0 H ASN A 59 16.086 15.048 5.133 1.00 0.75 H new ATOM 0 HA ASN A 59 18.597 15.413 6.437 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.988 13.037 7.017 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.741 13.760 8.013 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.498 13.119 7.546 1.00 0.92 H new ATOM 0 HD22 ASN A 59 15.205 11.605 6.683 1.00 0.92 H new ATOM 886 N ASN A 60 18.276 15.197 3.722 1.00 0.57 N ATOM 887 CA ASN A 60 18.677 14.987 2.328 1.00 0.52 C ATOM 888 C ASN A 60 18.072 13.712 1.748 1.00 0.42 C ATOM 889 O ASN A 60 18.517 13.218 0.712 1.00 0.53 O ATOM 890 CB ASN A 60 20.205 14.960 2.197 1.00 0.58 C ATOM 891 CG ASN A 60 20.823 13.628 2.586 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.244 13.437 3.727 1.00 1.99 O ATOM 893 ND2 ASN A 60 20.886 12.699 1.637 1.00 0.55 N ATOM 0 H ASN A 60 17.905 16.128 3.909 1.00 0.57 H new ATOM 0 HA ASN A 60 18.291 15.828 1.753 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.478 15.191 1.167 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.629 15.745 2.823 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.295 11.787 1.842 1.00 0.55 H new ATOM 0 HD22 ASN A 60 20.525 12.898 0.704 1.00 0.55 H new ATOM 900 N GLY A 61 17.045 13.193 2.410 1.00 0.37 N ATOM 901 CA GLY A 61 16.400 11.984 1.943 1.00 0.33 C ATOM 902 C GLY A 61 17.286 10.763 2.089 1.00 0.27 C ATOM 903 O GLY A 61 17.731 10.197 1.098 1.00 0.33 O ATOM 0 H GLY A 61 16.648 13.589 3.262 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.477 11.829 2.502 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.122 12.105 0.896 1.00 0.33 H new ATOM 907 N GLN A 62 17.554 10.370 3.328 1.00 0.29 N ATOM 908 CA GLN A 62 18.388 9.201 3.606 1.00 0.25 C ATOM 909 C GLN A 62 17.598 8.139 4.369 1.00 0.29 C ATOM 910 O GLN A 62 16.625 8.451 5.056 1.00 0.42 O ATOM 911 CB GLN A 62 19.628 9.602 4.413 1.00 0.30 C ATOM 912 CG GLN A 62 20.689 10.324 3.603 1.00 0.31 C ATOM 913 CD GLN A 62 21.514 9.378 2.757 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.091 9.173 1.517 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.525 8.843 3.210 1.00 0.54 N flip ATOM 0 H GLN A 62 17.206 10.844 4.161 1.00 0.29 H new ATOM 0 HA GLN A 62 18.706 8.783 2.651 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.319 10.242 5.239 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.068 8.706 4.851 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.210 11.061 2.958 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.347 10.871 4.278 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.814 9.029 4.170 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.074 8.213 2.625 1.00 0.54 H new ATOM 924 N LEU A 63 18.027 6.885 4.248 1.00 0.28 N ATOM 925 CA LEU A 63 17.362 5.776 4.929 1.00 0.37 C ATOM 926 C LEU A 63 18.372 4.745 5.416 1.00 0.27 C ATOM 927 O LEU A 63 19.463 4.624 4.865 1.00 0.23 O ATOM 928 CB LEU A 63 16.346 5.101 4.023 1.00 0.57 C ATOM 929 CG LEU A 63 16.899 4.623 2.696 1.00 0.90 C ATOM 930 CD1 LEU A 63 16.471 3.191 2.434 1.00 1.58 C ATOM 931 CD2 LEU A 63 16.425 5.548 1.599 1.00 1.61 C ATOM 0 H LEU A 63 18.832 6.611 3.685 1.00 0.28 H new ATOM 0 HA LEU A 63 16.841 6.196 5.790 1.00 0.37 H new ATOM 0 HB2 LEU A 63 15.919 4.249 4.551 1.00 0.57 H new ATOM 0 HB3 LEU A 63 15.531 5.799 3.831 1.00 0.57 H new ATOM 0 HG LEU A 63 17.989 4.641 2.722 1.00 0.90 H new ATOM 0 HD11 LEU A 63 16.875 2.860 1.477 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.847 2.547 3.229 1.00 1.58 H new ATOM 0 HD13 LEU A 63 15.383 3.136 2.407 1.00 1.58 H new ATOM 0 HD21 LEU A 63 16.820 5.209 0.641 1.00 1.61 H new ATOM 0 HD22 LEU A 63 15.336 5.543 1.564 1.00 1.61 H new ATOM 0 HD23 LEU A 63 16.777 6.560 1.799 1.00 1.61 H new ATOM 943 N ASN A 64 17.974 3.974 6.419 1.00 0.31 N ATOM 944 CA ASN A 64 18.839 2.954 6.996 1.00 0.28 C ATOM 945 C ASN A 64 18.341 1.562 6.644 1.00 0.25 C ATOM 946 O ASN A 64 17.175 1.380 6.300 1.00 0.27 O ATOM 947 CB ASN A 64 18.890 3.081 8.520 1.00 0.41 C ATOM 948 CG ASN A 64 19.732 4.241 9.003 1.00 0.53 C ATOM 949 OD1 ASN A 64 19.076 5.345 9.339 1.00 1.34 O flip ATOM 950 ND2 ASN A 64 20.956 4.139 9.097 1.00 0.95 N flip ATOM 0 H ASN A 64 17.052 4.036 6.852 1.00 0.31 H new ATOM 0 HA ASN A 64 19.836 3.103 6.582 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.875 3.196 8.901 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.285 2.156 8.940 1.00 0.41 H new ATOM 0 HD21 ASN A 64 21.418 3.270 8.827 1.00 0.95 H new ATOM 0 HD22 ASN A 64 21.508 4.923 9.445 1.00 0.95 H new ATOM 957 N PHE A 65 19.247 0.595 6.701 1.00 0.25 N ATOM 958 CA PHE A 65 18.931 -0.797 6.396 1.00 0.26 C ATOM 959 C PHE A 65 17.562 -1.207 6.946 1.00 0.27 C ATOM 960 O PHE A 65 16.853 -2.005 6.333 1.00 0.31 O ATOM 961 CB PHE A 65 20.019 -1.689 6.989 1.00 0.32 C ATOM 962 CG PHE A 65 19.806 -3.157 6.763 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.079 -3.730 5.533 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.341 -3.968 7.786 1.00 0.39 C ATOM 965 CE1 PHE A 65 19.891 -5.082 5.326 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.152 -5.321 7.586 1.00 0.45 C ATOM 967 CZ PHE A 65 19.427 -5.879 6.354 1.00 0.45 C ATOM 0 H PHE A 65 20.221 0.752 6.960 1.00 0.25 H new ATOM 0 HA PHE A 65 18.891 -0.912 5.313 1.00 0.26 H new ATOM 0 HB2 PHE A 65 20.980 -1.403 6.561 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.080 -1.504 8.061 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.443 -3.112 4.726 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.124 -3.536 8.752 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.107 -5.516 4.361 1.00 0.44 H new ATOM 0 HE2 PHE A 65 18.790 -5.942 8.392 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.280 -6.937 6.194 1.00 0.45 H new ATOM 977 N THR A 66 17.192 -0.649 8.094 1.00 0.28 N ATOM 978 CA THR A 66 15.916 -0.971 8.725 1.00 0.32 C ATOM 979 C THR A 66 14.731 -0.476 7.901 1.00 0.31 C ATOM 980 O THR A 66 13.708 -1.150 7.818 1.00 0.33 O ATOM 981 CB THR A 66 15.819 -0.370 10.138 1.00 0.38 C ATOM 982 OG1 THR A 66 16.992 -0.696 10.893 1.00 0.56 O ATOM 983 CG2 THR A 66 14.586 -0.889 10.864 1.00 0.52 C ATOM 0 H THR A 66 17.757 0.028 8.607 1.00 0.28 H new ATOM 0 HA THR A 66 15.876 -2.058 8.788 1.00 0.32 H new ATOM 0 HB THR A 66 15.738 0.713 10.041 1.00 0.38 H new ATOM 0 HG1 THR A 66 16.922 -0.308 11.790 1.00 0.56 H new ATOM 0 HG21 THR A 66 14.539 -0.450 11.861 1.00 0.52 H new ATOM 0 HG22 THR A 66 13.692 -0.615 10.304 1.00 0.52 H new ATOM 0 HG23 THR A 66 14.643 -1.974 10.948 1.00 0.52 H new ATOM 991 N GLU A 67 14.856 0.710 7.314 1.00 0.30 N ATOM 992 CA GLU A 67 13.784 1.272 6.500 1.00 0.33 C ATOM 993 C GLU A 67 13.455 0.358 5.323 1.00 0.30 C ATOM 994 O GLU A 67 12.305 -0.055 5.146 1.00 0.33 O ATOM 995 CB GLU A 67 14.181 2.657 5.992 1.00 0.36 C ATOM 996 CG GLU A 67 14.625 3.594 7.101 1.00 0.42 C ATOM 997 CD GLU A 67 13.466 4.106 7.935 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.118 3.445 8.936 1.00 1.70 O ATOM 999 OE2 GLU A 67 12.907 5.167 7.588 1.00 1.22 O ATOM 0 H GLU A 67 15.686 1.299 7.386 1.00 0.30 H new ATOM 0 HA GLU A 67 12.894 1.361 7.123 1.00 0.33 H new ATOM 0 HB2 GLU A 67 14.988 2.554 5.267 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.335 3.101 5.466 1.00 0.36 H new ATOM 0 HG2 GLU A 67 15.331 3.075 7.749 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.155 4.441 6.665 1.00 0.42 H new ATOM 1006 N PHE A 68 14.469 0.038 4.525 1.00 0.27 N ATOM 1007 CA PHE A 68 14.278 -0.830 3.369 1.00 0.26 C ATOM 1008 C PHE A 68 13.799 -2.210 3.802 1.00 0.27 C ATOM 1009 O PHE A 68 12.761 -2.686 3.346 1.00 0.31 O ATOM 1010 CB PHE A 68 15.578 -0.958 2.563 1.00 0.26 C ATOM 1011 CG PHE A 68 15.428 -1.715 1.261 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.176 -1.895 0.689 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.532 -2.255 0.615 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.032 -2.592 -0.495 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.390 -2.954 -0.567 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.165 -3.090 -1.143 1.00 0.37 C ATOM 0 H PHE A 68 15.426 0.365 4.657 1.00 0.27 H new ATOM 0 HA PHE A 68 13.516 -0.377 2.735 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.959 0.040 2.348 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.326 -1.459 3.178 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.303 -1.485 1.176 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.515 -2.126 1.043 1.00 0.35 H new ATOM 0 HE1 PHE A 68 13.050 -2.751 -0.917 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.256 -3.395 -1.037 1.00 0.37 H new ATOM 0 HZ PHE A 68 15.069 -3.582 -2.100 1.00 0.37 H new ATOM 1026 N CYS A 69 14.555 -2.843 4.693 1.00 0.26 N ATOM 1027 CA CYS A 69 14.211 -4.171 5.179 1.00 0.28 C ATOM 1028 C CYS A 69 12.832 -4.169 5.822 1.00 0.29 C ATOM 1029 O CYS A 69 12.162 -5.199 5.880 1.00 0.34 O ATOM 1030 CB CYS A 69 15.246 -4.658 6.194 1.00 0.27 C ATOM 1031 SG CYS A 69 15.120 -6.417 6.590 1.00 0.49 S ATOM 0 H CYS A 69 15.410 -2.456 5.092 1.00 0.26 H new ATOM 0 HA CYS A 69 14.203 -4.847 4.324 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.244 -4.455 5.805 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.138 -4.081 7.112 1.00 0.27 H new ATOM 0 HG CYS A 69 15.723 -7.113 5.672 1.00 0.49 H new ATOM 1037 N GLY A 70 12.420 -3.007 6.314 1.00 0.31 N ATOM 1038 CA GLY A 70 11.123 -2.887 6.945 1.00 0.34 C ATOM 1039 C GLY A 70 10.012 -3.163 5.970 1.00 0.35 C ATOM 1040 O GLY A 70 9.162 -4.027 6.201 1.00 0.35 O ATOM 0 H GLY A 70 12.964 -2.145 6.286 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.057 -3.584 7.781 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.008 -1.884 7.356 1.00 0.34 H new ATOM 1044 N ILE A 71 10.025 -2.433 4.869 1.00 0.38 N ATOM 1045 CA ILE A 71 9.026 -2.611 3.843 1.00 0.41 C ATOM 1046 C ILE A 71 9.208 -3.946 3.151 1.00 0.41 C ATOM 1047 O ILE A 71 8.246 -4.543 2.672 1.00 0.45 O ATOM 1048 CB ILE A 71 9.098 -1.506 2.789 1.00 0.43 C ATOM 1049 CG1 ILE A 71 8.860 -0.146 3.444 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.085 -1.788 1.690 1.00 0.47 C ATOM 1051 CD1 ILE A 71 8.948 1.019 2.482 1.00 0.49 C ATOM 0 H ILE A 71 10.718 -1.713 4.667 1.00 0.38 H new ATOM 0 HA ILE A 71 8.054 -2.571 4.335 1.00 0.41 H new ATOM 0 HB ILE A 71 10.090 -1.485 2.337 1.00 0.43 H new ATOM 0 HG12 ILE A 71 7.875 -0.146 3.911 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.591 -0.004 4.240 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.135 -1.001 0.938 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.310 -2.748 1.226 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.083 -1.817 2.118 1.00 0.47 H new ATOM 0 HD11 ILE A 71 8.768 1.950 3.020 1.00 0.49 H new ATOM 0 HD12 ILE A 71 9.941 1.046 2.033 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.199 0.902 1.699 1.00 0.49 H new ATOM 1063 N MET A 72 10.445 -4.417 3.109 1.00 0.39 N ATOM 1064 CA MET A 72 10.732 -5.678 2.460 1.00 0.41 C ATOM 1065 C MET A 72 10.041 -6.779 3.218 1.00 0.42 C ATOM 1066 O MET A 72 9.371 -7.617 2.635 1.00 0.50 O ATOM 1067 CB MET A 72 12.232 -5.943 2.398 1.00 0.41 C ATOM 1068 CG MET A 72 12.955 -5.080 1.382 1.00 0.45 C ATOM 1069 SD MET A 72 14.419 -5.878 0.705 1.00 0.78 S ATOM 1070 CE MET A 72 13.712 -7.386 0.045 1.00 0.36 C ATOM 0 H MET A 72 11.255 -3.948 3.513 1.00 0.39 H new ATOM 0 HA MET A 72 10.365 -5.640 1.434 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.665 -5.771 3.383 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.398 -6.993 2.156 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.272 -4.834 0.569 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.244 -4.139 1.851 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.215 -7.646 -0.886 1.00 0.36 H new ATOM 0 HE2 MET A 72 13.841 -8.194 0.765 1.00 0.36 H new ATOM 0 HE3 MET A 72 12.649 -7.236 -0.146 1.00 0.36 H new ATOM 1080 N ALA A 73 10.206 -6.750 4.530 1.00 0.41 N ATOM 1081 CA ALA A 73 9.581 -7.719 5.404 1.00 0.44 C ATOM 1082 C ALA A 73 8.086 -7.746 5.127 1.00 0.45 C ATOM 1083 O ALA A 73 7.455 -8.805 5.079 1.00 0.51 O ATOM 1084 CB ALA A 73 9.854 -7.331 6.844 1.00 0.46 C ATOM 0 H ALA A 73 10.775 -6.056 5.014 1.00 0.41 H new ATOM 0 HA ALA A 73 9.988 -8.714 5.225 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.387 -8.056 7.511 1.00 0.46 H new ATOM 0 HB2 ALA A 73 10.930 -7.317 7.019 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.442 -6.341 7.038 1.00 0.46 H new ATOM 1090 N LYS A 74 7.537 -6.551 4.931 1.00 0.42 N ATOM 1091 CA LYS A 74 6.128 -6.380 4.634 1.00 0.46 C ATOM 1092 C LYS A 74 5.789 -7.022 3.287 1.00 0.47 C ATOM 1093 O LYS A 74 4.770 -7.699 3.151 1.00 0.57 O ATOM 1094 CB LYS A 74 5.795 -4.884 4.638 1.00 0.50 C ATOM 1095 CG LYS A 74 5.128 -4.392 3.375 1.00 1.17 C ATOM 1096 CD LYS A 74 4.766 -2.917 3.468 1.00 1.08 C ATOM 1097 CE LYS A 74 3.800 -2.642 4.609 1.00 1.83 C ATOM 1098 NZ LYS A 74 2.514 -3.370 4.436 1.00 2.52 N ATOM 0 H LYS A 74 8.061 -5.677 4.975 1.00 0.42 H new ATOM 0 HA LYS A 74 5.525 -6.876 5.395 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.144 -4.671 5.486 1.00 0.50 H new ATOM 0 HB3 LYS A 74 6.714 -4.319 4.793 1.00 0.50 H new ATOM 0 HG2 LYS A 74 5.793 -4.551 2.526 1.00 1.17 H new ATOM 0 HG3 LYS A 74 4.227 -4.977 3.187 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.673 -2.329 3.610 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.320 -2.593 2.528 1.00 1.08 H new ATOM 0 HE2 LYS A 74 4.260 -2.936 5.552 1.00 1.83 H new ATOM 0 HE3 LYS A 74 3.606 -1.571 4.670 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 1.825 -3.029 5.136 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 2.146 -3.202 3.478 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 2.671 -4.389 4.573 1.00 2.52 H new ATOM 1112 N GLN A 75 6.653 -6.802 2.298 1.00 0.45 N ATOM 1113 CA GLN A 75 6.454 -7.362 0.964 1.00 0.50 C ATOM 1114 C GLN A 75 6.668 -8.876 0.961 1.00 0.52 C ATOM 1115 O GLN A 75 6.113 -9.587 0.123 1.00 0.67 O ATOM 1116 CB GLN A 75 7.408 -6.698 -0.031 1.00 0.50 C ATOM 1117 CG GLN A 75 7.189 -5.201 -0.174 1.00 0.76 C ATOM 1118 CD GLN A 75 8.292 -4.521 -0.961 1.00 0.66 C ATOM 1119 OE1 GLN A 75 8.209 -4.394 -2.182 1.00 1.60 O ATOM 1120 NE2 GLN A 75 9.334 -4.081 -0.264 1.00 0.86 N ATOM 0 H GLN A 75 7.498 -6.239 2.396 1.00 0.45 H new ATOM 0 HA GLN A 75 5.425 -7.164 0.665 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.435 -6.878 0.287 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.289 -7.169 -1.007 1.00 0.50 H new ATOM 0 HG2 GLN A 75 6.234 -5.023 -0.667 1.00 0.76 H new ATOM 0 HG3 GLN A 75 7.125 -4.751 0.817 1.00 0.76 H new ATOM 0 HE21 GLN A 75 9.361 -4.208 0.748 1.00 0.86 H new ATOM 0 HE22 GLN A 75 10.107 -3.616 -0.741 1.00 0.86 H new ATOM 1129 N MET A 76 7.475 -9.362 1.900 1.00 0.55 N ATOM 1130 CA MET A 76 7.765 -10.786 2.005 1.00 0.66 C ATOM 1131 C MET A 76 6.500 -11.562 2.349 1.00 0.71 C ATOM 1132 O MET A 76 6.181 -12.566 1.713 1.00 0.83 O ATOM 1133 CB MET A 76 8.834 -11.038 3.073 1.00 0.87 C ATOM 1134 CG MET A 76 10.185 -10.406 2.765 1.00 1.02 C ATOM 1135 SD MET A 76 11.268 -11.481 1.806 1.00 1.03 S ATOM 1136 CE MET A 76 12.824 -10.605 1.960 1.00 0.64 C ATOM 0 H MET A 76 7.941 -8.786 2.601 1.00 0.55 H new ATOM 0 HA MET A 76 8.141 -11.130 1.041 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.475 -10.654 4.028 1.00 0.87 H new ATOM 0 HB3 MET A 76 8.967 -12.113 3.191 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.028 -9.477 2.217 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.679 -10.145 3.701 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.252 -10.446 0.970 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.653 -9.642 2.441 1.00 0.64 H new ATOM 0 HE3 MET A 76 13.515 -11.194 2.563 1.00 0.64 H new ATOM 1240 N GLU A 83 6.218 -12.526 -10.503 1.00 7.37 N ATOM 1241 CA GLU A 83 6.751 -13.226 -11.666 1.00 8.31 C ATOM 1242 C GLU A 83 5.879 -14.430 -12.008 1.00 8.90 C ATOM 1243 O GLU A 83 5.593 -14.691 -13.176 1.00 9.79 O ATOM 1244 CB GLU A 83 8.190 -13.676 -11.407 1.00 8.42 C ATOM 1245 CG GLU A 83 9.157 -12.523 -11.186 1.00 8.14 C ATOM 1246 CD GLU A 83 10.588 -12.988 -11.005 1.00 8.51 C ATOM 1247 OE1 GLU A 83 11.303 -13.117 -12.021 1.00 9.06 O ATOM 1248 OE2 GLU A 83 10.994 -13.225 -9.847 1.00 8.45 O ATOM 0 HA GLU A 83 6.747 -12.539 -12.512 1.00 8.31 H new ATOM 0 HB2 GLU A 83 8.207 -14.326 -10.532 1.00 8.42 H new ATOM 0 HB3 GLU A 83 8.534 -14.271 -12.253 1.00 8.42 H new ATOM 0 HG2 GLU A 83 9.105 -11.842 -12.036 1.00 8.14 H new ATOM 0 HG3 GLU A 83 8.848 -11.959 -10.306 1.00 8.14 H new ATOM 1255 N GLU A 84 5.457 -15.157 -10.977 1.00 8.58 N ATOM 1256 CA GLU A 84 4.610 -16.330 -11.162 1.00 9.37 C ATOM 1257 C GLU A 84 3.254 -15.927 -11.732 1.00 9.77 C ATOM 1258 O GLU A 84 2.636 -16.679 -12.487 1.00 10.65 O ATOM 1259 CB GLU A 84 4.418 -17.064 -9.834 1.00 9.24 C ATOM 1260 CG GLU A 84 3.531 -18.294 -9.943 1.00 9.88 C ATOM 1261 CD GLU A 84 3.300 -18.967 -8.604 1.00 10.30 C ATOM 1262 OE1 GLU A 84 2.404 -18.517 -7.860 1.00 10.41 O ATOM 1263 OE2 GLU A 84 4.018 -19.943 -8.298 1.00 10.72 O ATOM 0 H GLU A 84 5.688 -14.954 -10.005 1.00 8.58 H new ATOM 0 HA GLU A 84 5.103 -16.999 -11.868 1.00 9.37 H new ATOM 0 HB2 GLU A 84 5.393 -17.362 -9.449 1.00 9.24 H new ATOM 0 HB3 GLU A 84 3.985 -16.377 -9.107 1.00 9.24 H new ATOM 0 HG2 GLU A 84 2.571 -18.008 -10.372 1.00 9.88 H new ATOM 0 HG3 GLU A 84 3.987 -19.007 -10.630 1.00 9.88 H new ATOM 1270 N MET A 85 2.801 -14.733 -11.367 1.00 9.28 N ATOM 1271 CA MET A 85 1.522 -14.221 -11.843 1.00 9.90 C ATOM 1272 C MET A 85 1.615 -13.918 -13.328 1.00 10.59 C ATOM 1273 O MET A 85 0.646 -14.075 -14.071 1.00 11.45 O ATOM 1274 CB MET A 85 1.137 -12.957 -11.070 1.00 9.48 C ATOM 1275 CG MET A 85 1.275 -13.099 -9.565 1.00 8.93 C ATOM 1276 SD MET A 85 -0.283 -13.501 -8.752 1.00 8.96 S ATOM 1277 CE MET A 85 -0.927 -11.859 -8.439 1.00 9.60 C ATOM 0 H MET A 85 3.301 -14.101 -10.742 1.00 9.28 H new ATOM 0 HA MET A 85 0.753 -14.976 -11.679 1.00 9.90 H new ATOM 0 HB2 MET A 85 1.762 -12.130 -11.407 1.00 9.48 H new ATOM 0 HB3 MET A 85 0.106 -12.695 -11.309 1.00 9.48 H new ATOM 0 HG2 MET A 85 2.006 -13.877 -9.344 1.00 8.93 H new ATOM 0 HG3 MET A 85 1.665 -12.169 -9.152 1.00 8.93 H new ATOM 0 HE1 MET A 85 -1.847 -11.933 -7.860 1.00 9.60 H new ATOM 0 HE2 MET A 85 -0.192 -11.280 -7.879 1.00 9.60 H new ATOM 0 HE3 MET A 85 -1.134 -11.363 -9.387 1.00 9.60 H new ATOM 1287 N ARG A 86 2.797 -13.479 -13.753 1.00 10.35 N ATOM 1288 CA ARG A 86 3.033 -13.172 -15.153 1.00 11.19 C ATOM 1289 C ARG A 86 2.984 -14.457 -15.966 1.00 11.96 C ATOM 1290 O ARG A 86 2.528 -14.467 -17.109 1.00 12.88 O ATOM 1291 CB ARG A 86 4.387 -12.485 -15.332 1.00 10.99 C ATOM 1292 CG ARG A 86 4.509 -11.721 -16.640 1.00 11.99 C ATOM 1293 CD ARG A 86 5.942 -11.287 -16.900 1.00 12.13 C ATOM 1294 NE ARG A 86 6.051 -10.450 -18.092 1.00 12.84 N ATOM 1295 CZ ARG A 86 7.196 -9.935 -18.530 1.00 13.32 C ATOM 1296 NH1 ARG A 86 8.327 -10.171 -17.880 1.00 13.18 N ATOM 1297 NH2 ARG A 86 7.209 -9.181 -19.621 1.00 14.09 N ATOM 0 H ARG A 86 3.603 -13.329 -13.146 1.00 10.35 H new ATOM 0 HA ARG A 86 2.257 -12.491 -15.504 1.00 11.19 H new ATOM 0 HB2 ARG A 86 4.550 -11.797 -14.502 1.00 10.99 H new ATOM 0 HB3 ARG A 86 5.176 -13.236 -15.283 1.00 10.99 H new ATOM 0 HG2 ARG A 86 4.163 -12.347 -17.462 1.00 11.99 H new ATOM 0 HG3 ARG A 86 3.862 -10.845 -16.612 1.00 11.99 H new ATOM 0 HD2 ARG A 86 6.317 -10.739 -16.036 1.00 12.13 H new ATOM 0 HD3 ARG A 86 6.573 -12.168 -17.017 1.00 12.13 H new ATOM 0 HE ARG A 86 5.201 -10.249 -18.618 1.00 12.84 H new ATOM 0 HH11 ARG A 86 8.321 -10.750 -17.040 1.00 13.18 H new ATOM 0 HH12 ARG A 86 9.203 -9.774 -18.220 1.00 13.18 H new ATOM 0 HH21 ARG A 86 6.341 -8.996 -20.124 1.00 14.09 H new ATOM 0 HH22 ARG A 86 8.087 -8.786 -19.957 1.00 14.09 H new ATOM 1311 N GLU A 87 3.460 -15.544 -15.359 1.00 11.71 N ATOM 1312 CA GLU A 87 3.456 -16.846 -16.012 1.00 12.58 C ATOM 1313 C GLU A 87 2.028 -17.256 -16.342 1.00 13.20 C ATOM 1314 O GLU A 87 1.728 -17.644 -17.471 1.00 14.14 O ATOM 1315 CB GLU A 87 4.108 -17.898 -15.111 1.00 12.36 C ATOM 1316 CG GLU A 87 5.544 -17.574 -14.734 1.00 12.89 C ATOM 1317 CD GLU A 87 6.460 -17.490 -15.939 1.00 13.23 C ATOM 1318 OE1 GLU A 87 7.014 -18.535 -16.337 1.00 13.40 O ATOM 1319 OE2 GLU A 87 6.623 -16.378 -16.485 1.00 13.47 O ATOM 0 H GLU A 87 3.852 -15.545 -14.417 1.00 11.71 H new ATOM 0 HA GLU A 87 4.030 -16.775 -16.936 1.00 12.58 H new ATOM 0 HB2 GLU A 87 3.517 -18.001 -14.201 1.00 12.36 H new ATOM 0 HB3 GLU A 87 4.083 -18.863 -15.617 1.00 12.36 H new ATOM 0 HG2 GLU A 87 5.569 -16.626 -14.197 1.00 12.89 H new ATOM 0 HG3 GLU A 87 5.917 -18.337 -14.051 1.00 12.89 H new ATOM 1326 N ALA A 88 1.151 -17.165 -15.345 1.00 12.78 N ATOM 1327 CA ALA A 88 -0.252 -17.511 -15.534 1.00 13.49 C ATOM 1328 C ALA A 88 -0.887 -16.597 -16.570 1.00 14.13 C ATOM 1329 O ALA A 88 -1.758 -17.015 -17.330 1.00 15.06 O ATOM 1330 CB ALA A 88 -1.007 -17.423 -14.217 1.00 13.06 C ATOM 0 H ALA A 88 1.388 -16.856 -14.402 1.00 12.78 H new ATOM 0 HA ALA A 88 -0.308 -18.538 -15.894 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -2.053 -17.685 -14.379 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -0.567 -18.114 -13.498 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -0.944 -16.407 -13.828 1.00 13.06 H new ATOM 1336 N PHE A 89 -0.449 -15.341 -16.589 1.00 13.73 N ATOM 1337 CA PHE A 89 -0.961 -14.369 -17.544 1.00 14.46 C ATOM 1338 C PHE A 89 -0.682 -14.842 -18.966 1.00 15.32 C ATOM 1339 O PHE A 89 -1.534 -14.734 -19.849 1.00 16.24 O ATOM 1340 CB PHE A 89 -0.321 -12.997 -17.301 1.00 14.00 C ATOM 1341 CG PHE A 89 -0.438 -12.058 -18.469 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -1.648 -11.459 -18.777 1.00 15.30 C ATOM 1343 CD2 PHE A 89 0.665 -11.778 -19.259 1.00 15.46 C ATOM 1344 CE1 PHE A 89 -1.756 -10.598 -19.853 1.00 16.22 C ATOM 1345 CE2 PHE A 89 0.563 -10.916 -20.335 1.00 16.38 C ATOM 1346 CZ PHE A 89 -0.649 -10.326 -20.632 1.00 16.75 C ATOM 0 H PHE A 89 0.259 -14.975 -15.953 1.00 13.73 H new ATOM 0 HA PHE A 89 -2.039 -14.275 -17.410 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -0.788 -12.538 -16.429 1.00 14.00 H new ATOM 0 HB3 PHE A 89 0.733 -13.135 -17.062 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -2.517 -11.667 -18.170 1.00 15.30 H new ATOM 0 HD2 PHE A 89 1.615 -12.238 -19.032 1.00 15.46 H new ATOM 0 HE1 PHE A 89 -2.706 -10.138 -20.084 1.00 16.22 H new ATOM 0 HE2 PHE A 89 1.431 -10.704 -20.942 1.00 16.38 H new ATOM 0 HZ PHE A 89 -0.731 -9.653 -21.472 1.00 16.75 H new ATOM 1356 N LYS A 90 0.522 -15.365 -19.175 1.00 15.11 N ATOM 1357 CA LYS A 90 0.920 -15.872 -20.482 1.00 16.01 C ATOM 1358 C LYS A 90 0.038 -17.049 -20.878 1.00 16.75 C ATOM 1359 O LYS A 90 -0.429 -17.134 -22.014 1.00 17.70 O ATOM 1360 CB LYS A 90 2.389 -16.293 -20.462 1.00 15.74 C ATOM 1361 CG LYS A 90 3.330 -15.164 -20.082 1.00 15.19 C ATOM 1362 CD LYS A 90 4.760 -15.649 -19.938 1.00 15.14 C ATOM 1363 CE LYS A 90 5.604 -14.661 -19.149 1.00 14.45 C ATOM 1364 NZ LYS A 90 7.026 -15.092 -19.058 1.00 14.90 N ATOM 0 H LYS A 90 1.239 -15.449 -18.455 1.00 15.11 H new ATOM 0 HA LYS A 90 0.796 -15.078 -21.219 1.00 16.01 H new ATOM 0 HB2 LYS A 90 2.515 -17.115 -19.757 1.00 15.74 H new ATOM 0 HB3 LYS A 90 2.665 -16.672 -21.446 1.00 15.74 H new ATOM 0 HG2 LYS A 90 3.286 -14.383 -20.841 1.00 15.19 H new ATOM 0 HG3 LYS A 90 3.001 -14.717 -19.144 1.00 15.19 H new ATOM 0 HD2 LYS A 90 4.769 -16.618 -19.438 1.00 15.14 H new ATOM 0 HD3 LYS A 90 5.197 -15.796 -20.926 1.00 15.14 H new ATOM 0 HE2 LYS A 90 5.552 -13.680 -19.622 1.00 14.45 H new ATOM 0 HE3 LYS A 90 5.193 -14.553 -18.145 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 7.643 -14.255 -19.064 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 7.172 -15.624 -18.176 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 7.258 -15.699 -19.870 1.00 14.90 H new ATOM 1378 N ILE A 91 -0.183 -17.957 -19.930 1.00 16.40 N ATOM 1379 CA ILE A 91 -1.026 -19.119 -20.169 1.00 17.17 C ATOM 1380 C ILE A 91 -2.423 -18.676 -20.574 1.00 17.84 C ATOM 1381 O ILE A 91 -2.957 -19.109 -21.596 1.00 18.78 O ATOM 1382 CB ILE A 91 -1.127 -20.001 -18.910 1.00 16.77 C ATOM 1383 CG1 ILE A 91 0.270 -20.397 -18.424 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -1.983 -21.232 -19.187 1.00 17.75 C ATOM 1385 CD1 ILE A 91 1.018 -21.312 -19.371 1.00 16.20 C ATOM 0 H ILE A 91 0.211 -17.908 -18.991 1.00 16.40 H new ATOM 0 HA ILE A 91 -0.571 -19.700 -20.972 1.00 17.17 H new ATOM 0 HB ILE A 91 -1.611 -19.428 -18.119 1.00 16.77 H new ATOM 0 HG12 ILE A 91 0.859 -19.493 -18.269 1.00 16.16 H new ATOM 0 HG13 ILE A 91 0.180 -20.889 -17.456 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -2.043 -21.843 -18.287 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -2.985 -20.920 -19.481 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -1.534 -21.814 -19.991 1.00 17.75 H new ATOM 0 HD11 ILE A 91 1.998 -21.545 -18.954 1.00 16.20 H new ATOM 0 HD12 ILE A 91 0.453 -22.234 -19.508 1.00 16.20 H new ATOM 0 HD13 ILE A 91 1.142 -20.816 -20.334 1.00 16.20 H new ATOM 1397 N PHE A 92 -3.002 -17.798 -19.761 1.00 17.43 N ATOM 1398 CA PHE A 92 -4.334 -17.271 -20.013 1.00 18.14 C ATOM 1399 C PHE A 92 -4.365 -16.499 -21.329 1.00 18.80 C ATOM 1400 O PHE A 92 -5.433 -16.204 -21.864 1.00 19.63 O ATOM 1401 CB PHE A 92 -4.779 -16.385 -18.842 1.00 17.63 C ATOM 1402 CG PHE A 92 -5.336 -17.168 -17.679 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -4.666 -18.280 -17.190 1.00 17.12 C ATOM 1404 CD2 PHE A 92 -6.518 -16.780 -17.061 1.00 17.64 C ATOM 1405 CE1 PHE A 92 -5.165 -18.990 -16.115 1.00 17.07 C ATOM 1406 CE2 PHE A 92 -7.018 -17.486 -15.983 1.00 17.60 C ATOM 1407 CZ PHE A 92 -6.385 -18.634 -15.560 1.00 17.34 C ATOM 0 H PHE A 92 -2.563 -17.435 -18.915 1.00 17.43 H new ATOM 0 HA PHE A 92 -5.033 -18.103 -20.099 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -3.930 -15.794 -18.500 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -5.535 -15.683 -19.194 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -3.743 -18.594 -17.655 1.00 17.12 H new ATOM 0 HD2 PHE A 92 -7.053 -15.916 -17.427 1.00 17.64 H new ATOM 0 HE1 PHE A 92 -4.607 -19.820 -15.708 1.00 17.07 H new ATOM 0 HE2 PHE A 92 -7.904 -17.138 -15.473 1.00 17.60 H new ATOM 0 HZ PHE A 92 -6.837 -19.254 -14.800 1.00 17.34 H new ATOM 1417 N ASP A 93 -3.180 -16.183 -21.846 1.00 18.51 N ATOM 1418 CA ASP A 93 -3.058 -15.462 -23.109 1.00 19.23 C ATOM 1419 C ASP A 93 -2.546 -16.396 -24.202 1.00 19.92 C ATOM 1420 O ASP A 93 -1.344 -16.451 -24.469 1.00 19.65 O ATOM 1421 CB ASP A 93 -2.109 -14.271 -22.956 1.00 18.69 C ATOM 1422 CG ASP A 93 -2.036 -13.424 -24.210 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -2.982 -13.481 -25.023 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -1.031 -12.701 -24.380 1.00 19.89 O ATOM 0 H ASP A 93 -2.289 -16.416 -21.408 1.00 18.51 H new ATOM 0 HA ASP A 93 -4.044 -15.091 -23.391 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -2.439 -13.652 -22.122 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -1.112 -14.634 -22.708 1.00 18.69 H new ATOM 1429 N ARG A 94 -3.463 -17.129 -24.831 1.00 20.90 N ATOM 1430 CA ARG A 94 -3.100 -18.071 -25.888 1.00 21.70 C ATOM 1431 C ARG A 94 -2.244 -17.398 -26.959 1.00 22.13 C ATOM 1432 O ARG A 94 -1.417 -18.044 -27.600 1.00 22.63 O ATOM 1433 CB ARG A 94 -4.352 -18.673 -26.537 1.00 22.67 C ATOM 1434 CG ARG A 94 -5.498 -18.948 -25.569 1.00 22.53 C ATOM 1435 CD ARG A 94 -5.050 -19.740 -24.352 1.00 22.13 C ATOM 1436 NE ARG A 94 -4.127 -20.816 -24.704 1.00 22.41 N ATOM 1437 CZ ARG A 94 -4.405 -22.108 -24.550 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -5.578 -22.483 -24.060 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -3.508 -23.026 -24.888 1.00 23.01 N ATOM 0 H ARG A 94 -4.462 -17.089 -24.627 1.00 20.90 H new ATOM 0 HA ARG A 94 -2.519 -18.869 -25.426 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -4.705 -17.995 -27.314 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -4.077 -19.606 -27.029 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -5.931 -18.002 -25.244 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -6.284 -19.497 -26.087 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -4.569 -19.069 -23.641 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -5.923 -20.161 -23.853 1.00 22.13 H new ATOM 0 HE ARG A 94 -3.217 -20.562 -25.090 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -6.270 -21.780 -23.800 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -5.789 -23.474 -23.943 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -2.605 -22.741 -25.266 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -3.722 -24.016 -24.770 1.00 23.01 H new ATOM 1453 N ASP A 95 -2.448 -16.096 -27.145 1.00 22.06 N ATOM 1454 CA ASP A 95 -1.697 -15.340 -28.141 1.00 22.57 C ATOM 1455 C ASP A 95 -0.499 -14.639 -27.510 1.00 21.80 C ATOM 1456 O ASP A 95 -0.414 -14.510 -26.289 1.00 20.81 O ATOM 1457 CB ASP A 95 -2.599 -14.303 -28.811 1.00 23.28 C ATOM 1458 CG ASP A 95 -3.966 -14.854 -29.159 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -4.037 -15.801 -29.969 1.00 24.00 O ATOM 1460 OD2 ASP A 95 -4.965 -14.334 -28.620 1.00 24.34 O ATOM 0 H ASP A 95 -3.126 -15.544 -26.619 1.00 22.06 H new ATOM 0 HA ASP A 95 -1.334 -16.044 -28.890 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -2.716 -13.446 -28.147 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -2.116 -13.940 -29.718 1.00 23.28 H new ATOM 1465 N GLY A 96 0.427 -14.192 -28.353 1.00 22.31 N ATOM 1466 CA GLY A 96 1.607 -13.500 -27.869 1.00 21.77 C ATOM 1467 C GLY A 96 1.492 -11.995 -28.015 1.00 21.93 C ATOM 1468 O GLY A 96 2.446 -11.264 -27.747 1.00 21.68 O ATOM 0 H GLY A 96 0.380 -14.298 -29.366 1.00 22.31 H new ATOM 0 HA2 GLY A 96 1.767 -13.750 -26.820 1.00 21.77 H new ATOM 0 HA3 GLY A 96 2.481 -13.850 -28.417 1.00 21.77 H new ATOM 1472 N ASP A 97 0.320 -11.536 -28.445 1.00 22.44 N ATOM 1473 CA ASP A 97 0.074 -10.109 -28.638 1.00 22.79 C ATOM 1474 C ASP A 97 0.399 -9.312 -27.377 1.00 21.82 C ATOM 1475 O ASP A 97 1.059 -8.274 -27.442 1.00 22.02 O ATOM 1476 CB ASP A 97 -1.381 -9.873 -29.055 1.00 23.40 C ATOM 1477 CG ASP A 97 -2.370 -10.215 -27.956 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -2.530 -11.416 -27.651 1.00 22.66 O ATOM 1479 OD2 ASP A 97 -2.989 -9.282 -27.403 1.00 22.35 O ATOM 0 H ASP A 97 -0.477 -12.133 -28.667 1.00 22.44 H new ATOM 0 HA ASP A 97 0.733 -9.760 -29.433 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -1.508 -8.828 -29.340 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -1.603 -10.473 -29.937 1.00 23.40 H new ATOM 1484 N GLY A 98 -0.067 -9.801 -26.231 1.00 20.85 N ATOM 1485 CA GLY A 98 0.188 -9.118 -24.976 1.00 19.90 C ATOM 1486 C GLY A 98 -1.081 -8.842 -24.195 1.00 19.67 C ATOM 1487 O GLY A 98 -1.036 -8.253 -23.116 1.00 18.98 O ATOM 0 H GLY A 98 -0.616 -10.657 -26.150 1.00 20.85 H new ATOM 0 HA2 GLY A 98 0.861 -9.723 -24.368 1.00 19.90 H new ATOM 0 HA3 GLY A 98 0.699 -8.176 -25.176 1.00 19.90 H new ATOM 1491 N PHE A 99 -2.215 -9.265 -24.744 1.00 20.36 N ATOM 1492 CA PHE A 99 -3.503 -9.062 -24.090 1.00 20.37 C ATOM 1493 C PHE A 99 -4.368 -10.318 -24.198 1.00 20.60 C ATOM 1494 O PHE A 99 -4.175 -11.140 -25.097 1.00 21.08 O ATOM 1495 CB PHE A 99 -4.235 -7.855 -24.683 1.00 21.34 C ATOM 1496 CG PHE A 99 -3.369 -6.636 -24.832 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -2.637 -6.424 -25.989 1.00 21.92 C ATOM 1498 CD2 PHE A 99 -3.287 -5.701 -23.811 1.00 21.38 C ATOM 1499 CE1 PHE A 99 -1.840 -5.303 -26.126 1.00 22.21 C ATOM 1500 CE2 PHE A 99 -2.492 -4.579 -23.943 1.00 21.65 C ATOM 1501 CZ PHE A 99 -1.767 -4.379 -25.102 1.00 22.08 C ATOM 0 H PHE A 99 -2.268 -9.750 -25.640 1.00 20.36 H new ATOM 0 HA PHE A 99 -3.316 -8.861 -23.035 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -4.634 -8.128 -25.660 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -5.086 -7.610 -24.048 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -2.690 -7.143 -26.793 1.00 21.92 H new ATOM 0 HD2 PHE A 99 -3.851 -5.852 -22.902 1.00 21.38 H new ATOM 0 HE1 PHE A 99 -1.275 -5.150 -27.033 1.00 22.21 H new ATOM 0 HE2 PHE A 99 -2.437 -3.858 -23.140 1.00 21.65 H new ATOM 0 HZ PHE A 99 -1.145 -3.502 -25.207 1.00 22.08 H new ATOM 1511 N ILE A 100 -5.324 -10.457 -23.282 1.00 20.36 N ATOM 1512 CA ILE A 100 -6.196 -11.627 -23.254 1.00 20.66 C ATOM 1513 C ILE A 100 -7.643 -11.268 -23.584 1.00 21.62 C ATOM 1514 O ILE A 100 -8.104 -10.164 -23.295 1.00 21.77 O ATOM 1515 CB ILE A 100 -6.167 -12.301 -21.868 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -4.725 -12.554 -21.428 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -6.957 -13.603 -21.891 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -4.599 -13.006 -19.987 1.00 17.74 C ATOM 0 H ILE A 100 -5.514 -9.773 -22.549 1.00 20.36 H new ATOM 0 HA ILE A 100 -5.817 -12.312 -24.013 1.00 20.66 H new ATOM 0 HB ILE A 100 -6.634 -11.630 -21.147 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -4.284 -13.311 -22.077 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -4.147 -11.640 -21.565 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -6.926 -14.065 -20.904 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -7.992 -13.396 -22.162 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -6.519 -14.281 -22.623 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -3.548 -13.166 -19.746 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -5.010 -12.241 -19.328 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -5.149 -13.937 -19.848 1.00 17.74 H new ATOM 1530 N SER A 101 -8.348 -12.219 -24.190 1.00 22.35 N ATOM 1531 CA SER A 101 -9.747 -12.033 -24.558 1.00 23.35 C ATOM 1532 C SER A 101 -10.621 -13.067 -23.848 1.00 23.43 C ATOM 1533 O SER A 101 -10.131 -14.128 -23.464 1.00 22.96 O ATOM 1534 CB SER A 101 -9.924 -12.150 -26.073 1.00 24.38 C ATOM 1535 OG SER A 101 -9.087 -11.234 -26.757 1.00 24.61 O ATOM 0 H SER A 101 -7.969 -13.133 -24.438 1.00 22.35 H new ATOM 0 HA SER A 101 -10.055 -11.035 -24.248 1.00 23.35 H new ATOM 0 HB2 SER A 101 -9.693 -13.166 -26.392 1.00 24.38 H new ATOM 0 HB3 SER A 101 -10.965 -11.962 -26.336 1.00 24.38 H new ATOM 0 HG SER A 101 -9.218 -11.330 -27.723 1.00 24.61 H new ATOM 1541 N PRO A 102 -11.921 -12.774 -23.655 1.00 24.11 N ATOM 1542 CA PRO A 102 -12.842 -13.697 -22.981 1.00 24.36 C ATOM 1543 C PRO A 102 -12.697 -15.135 -23.473 1.00 24.64 C ATOM 1544 O PRO A 102 -12.888 -16.084 -22.711 1.00 24.44 O ATOM 1545 CB PRO A 102 -14.217 -13.138 -23.343 1.00 25.42 C ATOM 1546 CG PRO A 102 -13.990 -11.677 -23.522 1.00 25.38 C ATOM 1547 CD PRO A 102 -12.598 -11.532 -24.079 1.00 24.81 C ATOM 0 HA PRO A 102 -12.655 -13.753 -21.909 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -14.604 -13.594 -24.254 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -14.945 -13.333 -22.555 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -14.727 -11.249 -24.201 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -14.086 -11.149 -22.573 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -12.609 -11.432 -25.164 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -12.098 -10.648 -23.683 1.00 24.81 H new ATOM 1555 N ALA A 103 -12.350 -15.290 -24.748 1.00 25.18 N ATOM 1556 CA ALA A 103 -12.180 -16.614 -25.339 1.00 25.58 C ATOM 1557 C ALA A 103 -10.984 -17.338 -24.729 1.00 24.70 C ATOM 1558 O ALA A 103 -11.113 -18.441 -24.201 1.00 24.78 O ATOM 1559 CB ALA A 103 -12.001 -16.494 -26.842 1.00 26.36 C ATOM 0 H ALA A 103 -12.181 -14.516 -25.391 1.00 25.18 H new ATOM 0 HA ALA A 103 -13.076 -17.197 -25.128 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -11.875 -17.487 -27.274 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -12.880 -16.018 -27.276 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -11.119 -15.890 -27.056 1.00 26.36 H new ATOM 1565 N GLU A 104 -9.824 -16.700 -24.805 1.00 23.94 N ATOM 1566 CA GLU A 104 -8.594 -17.259 -24.265 1.00 23.10 C ATOM 1567 C GLU A 104 -8.741 -17.553 -22.777 1.00 22.34 C ATOM 1568 O GLU A 104 -8.225 -18.550 -22.265 1.00 22.06 O ATOM 1569 CB GLU A 104 -7.456 -16.263 -24.481 1.00 22.54 C ATOM 1570 CG GLU A 104 -7.232 -15.891 -25.938 1.00 23.20 C ATOM 1571 CD GLU A 104 -6.192 -14.800 -26.104 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -4.986 -15.117 -26.038 1.00 22.70 O ATOM 1573 OE2 GLU A 104 -6.582 -13.631 -26.298 1.00 22.57 O ATOM 0 H GLU A 104 -9.710 -15.785 -25.241 1.00 23.94 H new ATOM 0 HA GLU A 104 -8.376 -18.195 -24.780 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -7.667 -15.357 -23.913 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -6.535 -16.685 -24.078 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -6.918 -16.776 -26.492 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -8.174 -15.560 -26.374 1.00 23.20 H new ATOM 1580 N LEU A 105 -9.463 -16.673 -22.096 1.00 22.13 N ATOM 1581 CA LEU A 105 -9.682 -16.786 -20.663 1.00 21.50 C ATOM 1582 C LEU A 105 -10.415 -18.074 -20.287 1.00 22.09 C ATOM 1583 O LEU A 105 -10.033 -18.751 -19.336 1.00 21.66 O ATOM 1584 CB LEU A 105 -10.473 -15.576 -20.171 1.00 21.47 C ATOM 1585 CG LEU A 105 -10.146 -15.120 -18.751 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -8.795 -14.422 -18.716 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -11.236 -14.199 -18.232 1.00 20.76 C ATOM 0 H LEU A 105 -9.912 -15.862 -22.522 1.00 22.13 H new ATOM 0 HA LEU A 105 -8.705 -16.818 -20.181 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -10.295 -14.744 -20.853 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -11.536 -15.811 -20.225 1.00 21.47 H new ATOM 0 HG LEU A 105 -10.096 -15.996 -18.105 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -8.577 -14.103 -17.697 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -8.021 -15.111 -19.055 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -8.818 -13.551 -19.372 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -10.991 -13.881 -17.219 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -11.312 -13.325 -18.879 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -12.188 -14.730 -18.226 1.00 20.76 H new ATOM 1599 N ARG A 106 -11.466 -18.413 -21.029 1.00 23.15 N ATOM 1600 CA ARG A 106 -12.241 -19.618 -20.732 1.00 23.87 C ATOM 1601 C ARG A 106 -11.491 -20.890 -21.115 1.00 23.93 C ATOM 1602 O ARG A 106 -11.589 -21.904 -20.427 1.00 24.00 O ATOM 1603 CB ARG A 106 -13.591 -19.592 -21.450 1.00 25.01 C ATOM 1604 CG ARG A 106 -13.490 -19.631 -22.964 1.00 25.84 C ATOM 1605 CD ARG A 106 -14.688 -20.335 -23.578 1.00 26.70 C ATOM 1606 NE ARG A 106 -14.766 -20.122 -25.021 1.00 27.44 N ATOM 1607 CZ ARG A 106 -15.776 -20.546 -25.776 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -16.793 -21.198 -25.225 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -15.771 -20.317 -27.081 1.00 28.96 N ATOM 0 H ARG A 106 -11.799 -17.879 -21.831 1.00 23.15 H new ATOM 0 HA ARG A 106 -12.403 -19.626 -19.654 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -14.185 -20.442 -21.114 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -14.129 -18.691 -21.156 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -13.424 -18.615 -23.353 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -12.574 -20.144 -23.257 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -14.626 -21.404 -23.372 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -15.602 -19.972 -23.108 1.00 26.70 H new ATOM 0 HE ARG A 106 -14.003 -19.620 -25.475 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -16.801 -21.375 -24.220 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -17.566 -21.522 -25.806 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -14.992 -19.815 -27.508 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -16.546 -20.643 -27.659 1.00 28.96 H new ATOM 1623 N PHE A 107 -10.743 -20.831 -22.209 1.00 24.01 N ATOM 1624 CA PHE A 107 -9.998 -21.994 -22.684 1.00 24.21 C ATOM 1625 C PHE A 107 -9.061 -22.517 -21.606 1.00 23.32 C ATOM 1626 O PHE A 107 -9.015 -23.716 -21.336 1.00 23.61 O ATOM 1627 CB PHE A 107 -9.201 -21.651 -23.945 1.00 24.45 C ATOM 1628 CG PHE A 107 -10.037 -21.568 -25.193 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -10.884 -22.607 -25.548 1.00 25.33 C ATOM 1630 CD2 PHE A 107 -9.970 -20.455 -26.015 1.00 25.30 C ATOM 1631 CE1 PHE A 107 -11.648 -22.536 -26.697 1.00 25.94 C ATOM 1632 CE2 PHE A 107 -10.733 -20.377 -27.165 1.00 25.91 C ATOM 1633 CZ PHE A 107 -11.573 -21.420 -27.506 1.00 26.22 C ATOM 0 H PHE A 107 -10.635 -19.995 -22.783 1.00 24.01 H new ATOM 0 HA PHE A 107 -10.720 -22.774 -22.926 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -8.695 -20.697 -23.795 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -8.426 -22.404 -24.089 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -10.947 -23.482 -24.919 1.00 25.33 H new ATOM 0 HD2 PHE A 107 -9.313 -19.638 -25.754 1.00 25.30 H new ATOM 0 HE1 PHE A 107 -12.303 -23.353 -26.962 1.00 25.94 H new ATOM 0 HE2 PHE A 107 -10.673 -19.502 -27.796 1.00 25.91 H new ATOM 0 HZ PHE A 107 -12.170 -21.362 -28.404 1.00 26.22 H new ATOM 1643 N VAL A 108 -8.315 -21.607 -20.994 1.00 22.31 N ATOM 1644 CA VAL A 108 -7.378 -21.973 -19.950 1.00 21.42 C ATOM 1645 C VAL A 108 -8.078 -22.425 -18.675 1.00 21.31 C ATOM 1646 O VAL A 108 -7.717 -23.445 -18.094 1.00 21.31 O ATOM 1647 CB VAL A 108 -6.432 -20.818 -19.627 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -5.545 -20.505 -20.821 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -7.201 -19.594 -19.182 1.00 20.26 C ATOM 0 H VAL A 108 -8.343 -20.610 -21.206 1.00 22.31 H new ATOM 0 HA VAL A 108 -6.803 -22.814 -20.338 1.00 21.42 H new ATOM 0 HB VAL A 108 -5.791 -21.123 -18.800 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -4.878 -19.680 -20.572 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -4.954 -21.385 -21.076 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -6.166 -20.226 -21.672 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -6.503 -18.787 -18.958 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -7.876 -19.280 -19.978 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -7.779 -19.832 -18.289 1.00 20.26 H new ATOM 1659 N MET A 109 -9.067 -21.655 -18.233 1.00 21.33 N ATOM 1660 CA MET A 109 -9.818 -21.988 -17.025 1.00 21.35 C ATOM 1661 C MET A 109 -10.311 -23.428 -17.077 1.00 22.24 C ATOM 1662 O MET A 109 -10.444 -24.086 -16.047 1.00 22.21 O ATOM 1663 CB MET A 109 -10.995 -21.032 -16.848 1.00 21.65 C ATOM 1664 CG MET A 109 -10.572 -19.600 -16.564 1.00 20.93 C ATOM 1665 SD MET A 109 -9.901 -19.386 -14.905 1.00 20.76 S ATOM 1666 CE MET A 109 -11.385 -19.558 -13.918 1.00 21.25 C ATOM 0 H MET A 109 -9.368 -20.796 -18.693 1.00 21.33 H new ATOM 0 HA MET A 109 -9.151 -21.883 -16.169 1.00 21.35 H new ATOM 0 HB2 MET A 109 -11.607 -21.050 -17.750 1.00 21.65 H new ATOM 0 HB3 MET A 109 -11.622 -21.387 -16.030 1.00 21.65 H new ATOM 0 HG2 MET A 109 -9.824 -19.295 -17.296 1.00 20.93 H new ATOM 0 HG3 MET A 109 -11.430 -18.940 -16.692 1.00 20.93 H new ATOM 0 HE1 MET A 109 -11.112 -19.699 -12.872 1.00 21.25 H new ATOM 0 HE2 MET A 109 -11.993 -18.659 -14.016 1.00 21.25 H new ATOM 0 HE3 MET A 109 -11.954 -20.421 -14.264 1.00 21.25 H new ATOM 1676 N ILE A 110 -10.583 -23.909 -18.285 1.00 23.11 N ATOM 1677 CA ILE A 110 -11.042 -25.277 -18.474 1.00 24.06 C ATOM 1678 C ILE A 110 -9.865 -26.242 -18.355 1.00 23.82 C ATOM 1679 O ILE A 110 -10.022 -27.386 -17.930 1.00 24.33 O ATOM 1680 CB ILE A 110 -11.730 -25.450 -19.843 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -12.952 -24.530 -19.928 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -12.133 -26.903 -20.059 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -13.480 -24.337 -21.334 1.00 26.28 C ATOM 0 H ILE A 110 -10.493 -23.371 -19.147 1.00 23.11 H new ATOM 0 HA ILE A 110 -11.773 -25.501 -17.697 1.00 24.06 H new ATOM 0 HB ILE A 110 -11.028 -25.175 -20.630 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -13.747 -24.940 -19.305 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -12.691 -23.557 -19.512 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -12.617 -27.006 -21.030 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -11.246 -27.535 -20.027 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -12.825 -27.209 -19.275 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -14.345 -23.674 -21.310 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -12.702 -23.897 -21.958 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -13.774 -25.302 -21.748 1.00 26.28 H new ATOM 1695 N ASN A 111 -8.684 -25.758 -18.731 1.00 23.14 N ATOM 1696 CA ASN A 111 -7.463 -26.552 -18.649 1.00 22.94 C ATOM 1697 C ASN A 111 -7.104 -26.818 -17.193 1.00 22.38 C ATOM 1698 O ASN A 111 -6.793 -27.947 -16.812 1.00 22.72 O ATOM 1699 CB ASN A 111 -6.306 -25.823 -19.340 1.00 22.34 C ATOM 1700 CG ASN A 111 -6.550 -25.625 -20.823 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -5.970 -24.570 -21.383 1.00 23.74 O flip ATOM 1702 ND2 ASN A 111 -7.250 -26.413 -21.460 1.00 23.04 N flip ATOM 0 H ASN A 111 -8.547 -24.816 -19.097 1.00 23.14 H new ATOM 0 HA ASN A 111 -7.636 -27.503 -19.154 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -6.157 -24.853 -18.866 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -5.386 -26.391 -19.199 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -7.677 -27.211 -20.990 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -7.403 -26.268 -22.458 1.00 23.04 H new ATOM 1709 N LEU A 112 -7.151 -25.764 -16.384 1.00 21.58 N ATOM 1710 CA LEU A 112 -6.839 -25.868 -14.965 1.00 21.04 C ATOM 1711 C LEU A 112 -7.882 -26.722 -14.261 1.00 21.87 C ATOM 1712 O LEU A 112 -7.559 -27.524 -13.384 1.00 21.84 O ATOM 1713 CB LEU A 112 -6.790 -24.478 -14.326 1.00 20.05 C ATOM 1714 CG LEU A 112 -6.392 -23.342 -15.268 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -6.585 -21.996 -14.594 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -4.952 -23.507 -15.731 1.00 18.68 C ATOM 0 H LEU A 112 -7.404 -24.824 -16.690 1.00 21.58 H new ATOM 0 HA LEU A 112 -5.862 -26.339 -14.859 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -7.771 -24.254 -13.906 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -6.086 -24.503 -13.494 1.00 20.05 H new ATOM 0 HG LEU A 112 -7.039 -23.383 -16.144 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -6.296 -21.200 -15.281 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -7.632 -21.874 -14.318 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -5.965 -21.945 -13.699 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -4.689 -22.688 -16.401 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -4.288 -23.496 -14.866 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -4.846 -24.455 -16.258 1.00 18.68 H new ATOM 1728 N GLY A 113 -9.140 -26.540 -14.655 1.00 22.70 N ATOM 1729 CA GLY A 113 -10.225 -27.300 -14.061 1.00 23.62 C ATOM 1730 C GLY A 113 -11.332 -26.412 -13.526 1.00 23.76 C ATOM 1731 O GLY A 113 -12.310 -26.903 -12.960 1.00 24.44 O ATOM 0 H GLY A 113 -9.427 -25.878 -15.376 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -10.638 -27.981 -14.806 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -9.833 -27.914 -13.250 1.00 23.62 H new ATOM 1735 N GLU A 114 -11.181 -25.105 -13.708 1.00 23.22 N ATOM 1736 CA GLU A 114 -12.174 -24.147 -13.237 1.00 23.41 C ATOM 1737 C GLU A 114 -13.240 -23.894 -14.299 1.00 24.22 C ATOM 1738 O GLU A 114 -13.110 -22.984 -15.119 1.00 24.14 O ATOM 1739 CB GLU A 114 -11.496 -22.833 -12.849 1.00 22.59 C ATOM 1740 CG GLU A 114 -10.737 -22.904 -11.534 1.00 21.89 C ATOM 1741 CD GLU A 114 -10.041 -21.603 -11.192 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -10.719 -20.680 -10.693 1.00 21.97 O ATOM 1743 OE2 GLU A 114 -8.817 -21.505 -11.420 1.00 21.76 O ATOM 0 H GLU A 114 -10.380 -24.684 -14.179 1.00 23.22 H new ATOM 0 HA GLU A 114 -12.663 -24.570 -12.359 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -10.806 -22.542 -13.641 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -12.252 -22.050 -12.781 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -11.429 -23.163 -10.733 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -9.998 -23.704 -11.588 1.00 21.89 H new ATOM 1750 N LYS A 115 -14.292 -24.707 -14.279 1.00 25.07 N ATOM 1751 CA LYS A 115 -15.385 -24.569 -15.236 1.00 25.94 C ATOM 1752 C LYS A 115 -16.089 -23.227 -15.060 1.00 25.87 C ATOM 1753 O LYS A 115 -16.780 -23.004 -14.066 1.00 26.08 O ATOM 1754 CB LYS A 115 -16.391 -25.709 -15.066 1.00 27.05 C ATOM 1755 CG LYS A 115 -15.814 -27.083 -15.372 1.00 27.83 C ATOM 1756 CD LYS A 115 -16.813 -28.191 -15.071 1.00 28.38 C ATOM 1757 CE LYS A 115 -18.016 -28.134 -16.001 1.00 29.16 C ATOM 1758 NZ LYS A 115 -17.624 -28.294 -17.428 1.00 29.75 N ATOM 0 H LYS A 115 -14.411 -25.468 -13.611 1.00 25.07 H new ATOM 0 HA LYS A 115 -14.964 -24.614 -16.240 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -16.766 -25.702 -14.043 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -17.245 -25.529 -15.719 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -15.523 -27.130 -16.421 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -14.910 -27.238 -14.783 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -16.323 -29.159 -15.170 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -17.148 -28.107 -14.037 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -18.723 -28.918 -15.729 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -18.531 -27.182 -15.871 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -18.470 -28.487 -18.001 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -17.170 -27.420 -17.763 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -16.957 -29.087 -17.518 1.00 29.75 H new ATOM 1772 N VAL A 116 -15.908 -22.337 -16.030 1.00 25.67 N ATOM 1773 CA VAL A 116 -16.524 -21.018 -15.979 1.00 25.69 C ATOM 1774 C VAL A 116 -17.283 -20.701 -17.258 1.00 26.53 C ATOM 1775 O VAL A 116 -16.971 -21.223 -18.329 1.00 26.78 O ATOM 1776 CB VAL A 116 -15.478 -19.908 -15.761 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -14.987 -19.897 -14.324 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -14.316 -20.077 -16.729 1.00 24.02 C ATOM 0 H VAL A 116 -15.340 -22.506 -16.860 1.00 25.67 H new ATOM 0 HA VAL A 116 -17.215 -21.045 -15.137 1.00 25.69 H new ATOM 0 HB VAL A 116 -15.954 -18.947 -15.958 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -14.250 -19.104 -14.197 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -15.828 -19.721 -13.653 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -14.530 -20.858 -14.088 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -13.586 -19.285 -16.562 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -13.844 -21.046 -16.566 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -14.685 -20.021 -17.753 1.00 24.02 H new ATOM 1788 N THR A 117 -18.284 -19.839 -17.132 1.00 27.04 N ATOM 1789 CA THR A 117 -19.083 -19.416 -18.269 1.00 27.90 C ATOM 1790 C THR A 117 -18.521 -18.123 -18.841 1.00 27.38 C ATOM 1791 O THR A 117 -18.003 -17.285 -18.102 1.00 26.61 O ATOM 1792 CB THR A 117 -20.556 -19.202 -17.876 1.00 28.88 C ATOM 1793 OG1 THR A 117 -20.644 -18.261 -16.798 1.00 28.45 O ATOM 1794 CG2 THR A 117 -21.201 -20.516 -17.461 1.00 29.54 C ATOM 0 H THR A 117 -18.561 -19.418 -16.245 1.00 27.04 H new ATOM 0 HA THR A 117 -19.041 -20.206 -19.019 1.00 27.90 H new ATOM 0 HB THR A 117 -21.088 -18.811 -18.744 1.00 28.88 H new ATOM 0 HG1 THR A 117 -21.584 -18.129 -16.555 1.00 28.45 H new ATOM 0 HG21 THR A 117 -22.241 -20.340 -17.188 1.00 29.54 H new ATOM 0 HG22 THR A 117 -21.158 -21.221 -18.291 1.00 29.54 H new ATOM 0 HG23 THR A 117 -20.666 -20.930 -16.606 1.00 29.54 H new ATOM 1802 N ASP A 118 -18.618 -17.964 -20.156 1.00 27.85 N ATOM 1803 CA ASP A 118 -18.104 -16.773 -20.822 1.00 27.53 C ATOM 1804 C ASP A 118 -18.655 -15.497 -20.192 1.00 27.56 C ATOM 1805 O ASP A 118 -18.088 -14.419 -20.364 1.00 27.11 O ATOM 1806 CB ASP A 118 -18.450 -16.806 -22.313 1.00 28.39 C ATOM 1807 CG ASP A 118 -17.863 -18.014 -23.015 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -18.512 -19.081 -23.003 1.00 28.40 O ATOM 1809 OD2 ASP A 118 -16.757 -17.892 -23.581 1.00 28.58 O ATOM 0 H ASP A 118 -19.048 -18.645 -20.782 1.00 27.85 H new ATOM 0 HA ASP A 118 -17.021 -16.771 -20.702 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -19.533 -16.811 -22.432 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -18.081 -15.898 -22.789 1.00 28.39 H new ATOM 1814 N GLU A 119 -19.752 -15.627 -19.452 1.00 28.18 N ATOM 1815 CA GLU A 119 -20.380 -14.478 -18.809 1.00 28.39 C ATOM 1816 C GLU A 119 -19.658 -14.081 -17.521 1.00 27.39 C ATOM 1817 O GLU A 119 -19.239 -12.932 -17.369 1.00 26.99 O ATOM 1818 CB GLU A 119 -21.848 -14.781 -18.505 1.00 29.53 C ATOM 1819 CG GLU A 119 -22.668 -15.118 -19.740 1.00 30.59 C ATOM 1820 CD GLU A 119 -24.140 -15.305 -19.427 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -24.521 -16.421 -19.012 1.00 31.92 O ATOM 1822 OE2 GLU A 119 -24.911 -14.338 -19.596 1.00 32.06 O ATOM 0 H GLU A 119 -20.224 -16.515 -19.283 1.00 28.18 H new ATOM 0 HA GLU A 119 -20.314 -13.639 -19.502 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -21.901 -15.615 -17.805 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -22.293 -13.919 -18.008 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -22.555 -14.322 -20.476 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -22.278 -16.029 -20.194 1.00 30.59 H new ATOM 1829 N GLU A 120 -19.512 -15.030 -16.598 1.00 27.04 N ATOM 1830 CA GLU A 120 -18.851 -14.758 -15.322 1.00 26.15 C ATOM 1831 C GLU A 120 -17.432 -14.231 -15.521 1.00 24.97 C ATOM 1832 O GLU A 120 -17.018 -13.277 -14.857 1.00 24.41 O ATOM 1833 CB GLU A 120 -18.835 -16.010 -14.441 1.00 26.05 C ATOM 1834 CG GLU A 120 -18.029 -17.165 -15.009 1.00 25.61 C ATOM 1835 CD GLU A 120 -17.968 -18.346 -14.059 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -17.198 -18.280 -13.078 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -18.686 -19.339 -14.299 1.00 26.13 O ATOM 0 H GLU A 120 -19.840 -15.989 -16.708 1.00 27.04 H new ATOM 0 HA GLU A 120 -19.426 -13.981 -14.818 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -18.431 -15.747 -13.463 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -19.861 -16.342 -14.283 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -18.470 -17.484 -15.953 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -17.017 -16.826 -15.229 1.00 25.61 H new ATOM 1844 N ILE A 121 -16.691 -14.840 -16.439 1.00 24.65 N ATOM 1845 CA ILE A 121 -15.323 -14.415 -16.695 1.00 23.60 C ATOM 1846 C ILE A 121 -15.286 -13.079 -17.430 1.00 23.80 C ATOM 1847 O ILE A 121 -14.407 -12.255 -17.175 1.00 23.05 O ATOM 1848 CB ILE A 121 -14.527 -15.470 -17.483 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -15.211 -15.792 -18.811 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -14.359 -16.729 -16.645 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -14.418 -16.740 -19.683 1.00 24.19 C ATOM 0 H ILE A 121 -17.011 -15.621 -17.012 1.00 24.65 H new ATOM 0 HA ILE A 121 -14.849 -14.294 -15.721 1.00 23.60 H new ATOM 0 HB ILE A 121 -13.541 -15.063 -17.707 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -16.190 -16.228 -18.610 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -15.381 -14.864 -19.357 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -13.794 -17.470 -17.211 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -13.822 -16.487 -15.728 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -15.340 -17.133 -16.395 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -14.963 -16.924 -20.609 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -13.449 -16.298 -19.914 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -14.270 -17.682 -19.155 1.00 24.19 H new ATOM 1863 N ASP A 122 -16.232 -12.863 -18.343 1.00 24.87 N ATOM 1864 CA ASP A 122 -16.291 -11.602 -19.075 1.00 25.26 C ATOM 1865 C ASP A 122 -16.352 -10.441 -18.091 1.00 25.13 C ATOM 1866 O ASP A 122 -15.754 -9.386 -18.310 1.00 24.95 O ATOM 1867 CB ASP A 122 -17.508 -11.564 -20.001 1.00 26.55 C ATOM 1868 CG ASP A 122 -17.618 -10.253 -20.756 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -18.260 -9.318 -20.230 1.00 27.39 O ATOM 1870 OD2 ASP A 122 -17.065 -10.161 -21.871 1.00 27.28 O ATOM 0 H ASP A 122 -16.958 -13.535 -18.590 1.00 24.87 H new ATOM 0 HA ASP A 122 -15.393 -11.515 -19.687 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -17.445 -12.387 -20.713 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -18.413 -11.719 -19.414 1.00 26.55 H new ATOM 1875 N GLU A 123 -17.082 -10.654 -17.001 1.00 25.32 N ATOM 1876 CA GLU A 123 -17.216 -9.645 -15.962 1.00 25.30 C ATOM 1877 C GLU A 123 -15.880 -9.432 -15.266 1.00 24.05 C ATOM 1878 O GLU A 123 -15.465 -8.298 -15.032 1.00 23.89 O ATOM 1879 CB GLU A 123 -18.278 -10.063 -14.943 1.00 25.91 C ATOM 1880 CG GLU A 123 -19.665 -10.224 -15.541 1.00 27.23 C ATOM 1881 CD GLU A 123 -20.694 -10.666 -14.517 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -20.796 -11.886 -14.268 1.00 27.98 O ATOM 1883 OE2 GLU A 123 -21.396 -9.793 -13.967 1.00 28.28 O ATOM 0 H GLU A 123 -17.590 -11.519 -16.816 1.00 25.32 H new ATOM 0 HA GLU A 123 -17.529 -8.709 -16.425 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -17.978 -11.005 -14.484 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -18.319 -9.319 -14.147 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -19.979 -9.278 -15.981 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -19.626 -10.954 -16.350 1.00 27.23 H new ATOM 1890 N MET A 124 -15.206 -10.535 -14.942 1.00 23.22 N ATOM 1891 CA MET A 124 -13.912 -10.470 -14.284 1.00 21.99 C ATOM 1892 C MET A 124 -12.923 -9.672 -15.130 1.00 21.54 C ATOM 1893 O MET A 124 -11.966 -9.095 -14.611 1.00 20.82 O ATOM 1894 CB MET A 124 -13.380 -11.882 -14.029 1.00 21.32 C ATOM 1895 CG MET A 124 -11.964 -11.909 -13.487 1.00 20.01 C ATOM 1896 SD MET A 124 -11.424 -13.565 -13.020 1.00 19.35 S ATOM 1897 CE MET A 124 -11.496 -14.407 -14.598 1.00 19.76 C ATOM 0 H MET A 124 -15.539 -11.481 -15.126 1.00 23.22 H new ATOM 0 HA MET A 124 -14.032 -9.963 -13.326 1.00 21.99 H new ATOM 0 HB2 MET A 124 -14.040 -12.388 -13.324 1.00 21.32 H new ATOM 0 HB3 MET A 124 -13.415 -12.448 -14.960 1.00 21.32 H new ATOM 0 HG2 MET A 124 -11.284 -11.509 -14.240 1.00 20.01 H new ATOM 0 HG3 MET A 124 -11.900 -11.253 -12.619 1.00 20.01 H new ATOM 0 HE1 MET A 124 -12.258 -15.185 -14.561 1.00 19.76 H new ATOM 0 HE2 MET A 124 -11.746 -13.691 -15.381 1.00 19.76 H new ATOM 0 HE3 MET A 124 -10.528 -14.858 -14.814 1.00 19.76 H new ATOM 1907 N ILE A 125 -13.168 -9.639 -16.437 1.00 22.08 N ATOM 1908 CA ILE A 125 -12.312 -8.908 -17.360 1.00 21.89 C ATOM 1909 C ILE A 125 -12.599 -7.412 -17.293 1.00 22.49 C ATOM 1910 O ILE A 125 -11.685 -6.593 -17.361 1.00 22.09 O ATOM 1911 CB ILE A 125 -12.503 -9.397 -18.812 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -12.052 -10.854 -18.935 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -11.739 -8.507 -19.785 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -12.248 -11.441 -20.318 1.00 22.55 C ATOM 0 H ILE A 125 -13.956 -10.112 -16.880 1.00 22.08 H new ATOM 0 HA ILE A 125 -11.281 -9.094 -17.059 1.00 21.89 H new ATOM 0 HB ILE A 125 -13.561 -9.338 -19.067 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -10.997 -10.922 -18.668 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -12.603 -11.457 -18.213 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -11.887 -8.869 -20.802 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -12.106 -7.484 -19.707 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -10.677 -8.531 -19.542 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -11.905 -12.476 -20.326 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -13.305 -11.407 -20.581 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -11.675 -10.863 -21.043 1.00 22.55 H new ATOM 1926 N ARG A 126 -13.875 -7.065 -17.158 1.00 23.53 N ATOM 1927 CA ARG A 126 -14.278 -5.666 -17.083 1.00 24.28 C ATOM 1928 C ARG A 126 -13.784 -5.035 -15.786 1.00 23.77 C ATOM 1929 O ARG A 126 -13.243 -3.929 -15.787 1.00 23.91 O ATOM 1930 CB ARG A 126 -15.799 -5.543 -17.178 1.00 25.52 C ATOM 1931 CG ARG A 126 -16.284 -4.108 -17.288 1.00 26.44 C ATOM 1932 CD ARG A 126 -17.796 -4.039 -17.402 1.00 27.30 C ATOM 1933 NE ARG A 126 -18.267 -2.671 -17.609 1.00 28.16 N ATOM 1934 CZ ARG A 126 -19.551 -2.329 -17.627 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -20.489 -3.248 -17.443 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -19.899 -1.065 -17.827 1.00 29.80 N ATOM 0 H ARG A 126 -14.645 -7.731 -17.098 1.00 23.53 H new ATOM 0 HA ARG A 126 -13.829 -5.136 -17.923 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -16.148 -6.104 -18.045 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -16.249 -6.004 -16.299 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -15.958 -3.545 -16.414 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -15.830 -3.635 -18.159 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -18.126 -4.665 -18.231 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -18.247 -4.445 -16.496 1.00 27.30 H new ATOM 0 HE ARG A 126 -17.571 -1.938 -17.747 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -20.226 -4.221 -17.287 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -21.474 -2.982 -17.457 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -19.181 -0.354 -17.967 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -20.885 -0.803 -17.841 1.00 29.80 H new ATOM 1950 N GLU A 127 -13.977 -5.749 -14.682 1.00 23.26 N ATOM 1951 CA GLU A 127 -13.550 -5.272 -13.373 1.00 22.80 C ATOM 1952 C GLU A 127 -12.036 -5.087 -13.330 1.00 21.68 C ATOM 1953 O GLU A 127 -11.522 -4.266 -12.570 1.00 21.50 O ATOM 1954 CB GLU A 127 -13.990 -6.253 -12.286 1.00 22.59 C ATOM 1955 CG GLU A 127 -15.452 -6.118 -11.888 1.00 23.70 C ATOM 1956 CD GLU A 127 -16.401 -6.160 -13.072 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -16.514 -5.138 -13.781 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -17.039 -7.213 -13.284 1.00 23.95 O ATOM 0 H GLU A 127 -14.428 -6.664 -14.669 1.00 23.26 H new ATOM 0 HA GLU A 127 -14.019 -4.305 -13.191 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -13.811 -7.270 -12.634 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -13.368 -6.104 -11.403 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -15.709 -6.920 -11.196 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -15.591 -5.179 -11.353 1.00 23.70 H new ATOM 1965 N ALA A 128 -11.331 -5.858 -14.149 1.00 21.01 N ATOM 1966 CA ALA A 128 -9.877 -5.782 -14.211 1.00 19.97 C ATOM 1967 C ALA A 128 -9.432 -4.783 -15.272 1.00 20.40 C ATOM 1968 O ALA A 128 -8.314 -4.270 -15.226 1.00 19.88 O ATOM 1969 CB ALA A 128 -9.291 -7.156 -14.497 1.00 19.05 C ATOM 0 H ALA A 128 -11.744 -6.544 -14.781 1.00 21.01 H new ATOM 0 HA ALA A 128 -9.509 -5.438 -13.244 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -8.204 -7.086 -14.541 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -9.578 -7.846 -13.704 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -9.670 -7.522 -15.451 1.00 19.05 H new ATOM 1975 N ASP A 129 -10.319 -4.508 -16.222 1.00 21.43 N ATOM 1976 CA ASP A 129 -10.024 -3.573 -17.300 1.00 22.05 C ATOM 1977 C ASP A 129 -10.229 -2.131 -16.847 1.00 22.75 C ATOM 1978 O ASP A 129 -11.359 -1.674 -16.683 1.00 23.69 O ATOM 1979 CB ASP A 129 -10.903 -3.875 -18.516 1.00 22.95 C ATOM 1980 CG ASP A 129 -10.860 -2.770 -19.552 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -11.662 -1.821 -19.438 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -10.024 -2.855 -20.477 1.00 24.38 O ATOM 0 H ASP A 129 -11.251 -4.921 -16.267 1.00 21.43 H new ATOM 0 HA ASP A 129 -8.977 -3.695 -17.578 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -10.577 -4.810 -18.973 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -11.932 -4.022 -18.189 1.00 22.95 H new ATOM 1987 N PHE A 130 -9.123 -1.420 -16.648 1.00 22.35 N ATOM 1988 CA PHE A 130 -9.175 -0.028 -16.214 1.00 23.04 C ATOM 1989 C PHE A 130 -9.285 0.918 -17.407 1.00 24.02 C ATOM 1990 O PHE A 130 -10.034 1.895 -17.367 1.00 25.05 O ATOM 1991 CB PHE A 130 -7.933 0.316 -15.391 1.00 22.22 C ATOM 1992 CG PHE A 130 -7.810 -0.486 -14.127 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -8.467 -0.087 -12.973 1.00 20.73 C ATOM 1994 CD2 PHE A 130 -7.039 -1.636 -14.091 1.00 21.23 C ATOM 1995 CE1 PHE A 130 -8.357 -0.821 -11.808 1.00 20.01 C ATOM 1996 CE2 PHE A 130 -6.926 -2.375 -12.929 1.00 20.51 C ATOM 1997 CZ PHE A 130 -7.581 -1.971 -11.788 1.00 19.90 C ATOM 0 H PHE A 130 -8.180 -1.785 -16.780 1.00 22.35 H new ATOM 0 HA PHE A 130 -10.063 0.097 -15.595 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -7.045 0.154 -16.003 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -7.957 1.376 -15.138 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -9.072 0.808 -12.985 1.00 20.73 H new ATOM 0 HD2 PHE A 130 -6.520 -1.959 -14.981 1.00 21.23 H new ATOM 0 HE1 PHE A 130 -8.874 -0.501 -10.915 1.00 20.01 H new ATOM 0 HE2 PHE A 130 -6.323 -3.271 -12.916 1.00 20.51 H new ATOM 0 HZ PHE A 130 -7.491 -2.548 -10.879 1.00 19.90 H new ATOM 2007 N ASP A 131 -8.536 0.624 -18.466 1.00 23.76 N ATOM 2008 CA ASP A 131 -8.551 1.454 -19.667 1.00 24.71 C ATOM 2009 C ASP A 131 -9.886 1.343 -20.399 1.00 25.78 C ATOM 2010 O ASP A 131 -10.719 2.248 -20.324 1.00 26.78 O ATOM 2011 CB ASP A 131 -7.399 1.073 -20.600 1.00 24.21 C ATOM 2012 CG ASP A 131 -6.980 -0.377 -20.451 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -7.583 -1.243 -21.118 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -6.047 -0.644 -19.665 1.00 22.53 O ATOM 0 H ASP A 131 -7.912 -0.181 -18.517 1.00 23.76 H new ATOM 0 HA ASP A 131 -8.421 2.491 -19.357 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -7.697 1.257 -21.632 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -6.544 1.717 -20.396 1.00 24.21 H new ATOM 2019 N GLY A 132 -10.087 0.235 -21.105 1.00 25.60 N ATOM 2020 CA GLY A 132 -11.326 0.038 -21.837 1.00 26.62 C ATOM 2021 C GLY A 132 -11.098 -0.431 -23.260 1.00 26.95 C ATOM 2022 O GLY A 132 -11.100 0.372 -24.193 1.00 27.86 O ATOM 0 H GLY A 132 -9.416 -0.529 -21.184 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -11.941 -0.693 -21.312 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -11.886 0.973 -21.853 1.00 26.62 H new ATOM 2026 N ASP A 133 -10.901 -1.736 -23.428 1.00 26.26 N ATOM 2027 CA ASP A 133 -10.677 -2.309 -24.751 1.00 26.58 C ATOM 2028 C ASP A 133 -11.097 -3.777 -24.798 1.00 26.27 C ATOM 2029 O ASP A 133 -10.888 -4.459 -25.802 1.00 26.65 O ATOM 2030 CB ASP A 133 -9.207 -2.170 -25.150 1.00 26.12 C ATOM 2031 CG ASP A 133 -8.286 -2.982 -24.262 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -8.477 -2.961 -23.029 1.00 24.32 O ATOM 2033 OD2 ASP A 133 -7.369 -3.636 -24.802 1.00 24.55 O ATOM 0 H ASP A 133 -10.892 -2.415 -22.666 1.00 26.26 H new ATOM 0 HA ASP A 133 -11.292 -1.757 -25.462 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -9.083 -2.489 -26.185 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -8.919 -1.120 -25.103 1.00 26.12 H new ATOM 2038 N GLY A 134 -11.692 -4.258 -23.708 1.00 25.66 N ATOM 2039 CA GLY A 134 -12.135 -5.641 -23.649 1.00 25.42 C ATOM 2040 C GLY A 134 -10.985 -6.631 -23.681 1.00 24.43 C ATOM 2041 O GLY A 134 -11.157 -7.774 -24.107 1.00 24.42 O ATOM 0 H GLY A 134 -11.875 -3.714 -22.865 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -12.714 -5.793 -22.738 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -12.802 -5.840 -24.488 1.00 25.42 H new ATOM 2045 N MET A 135 -9.811 -6.198 -23.229 1.00 23.66 N ATOM 2046 CA MET A 135 -8.632 -7.061 -23.209 1.00 22.72 C ATOM 2047 C MET A 135 -7.909 -6.954 -21.869 1.00 21.56 C ATOM 2048 O MET A 135 -8.027 -5.946 -21.173 1.00 21.55 O ATOM 2049 CB MET A 135 -7.677 -6.694 -24.347 1.00 23.01 C ATOM 2050 CG MET A 135 -8.369 -6.497 -25.686 1.00 24.25 C ATOM 2051 SD MET A 135 -7.206 -6.361 -27.057 1.00 24.43 S ATOM 2052 CE MET A 135 -6.730 -8.074 -27.269 1.00 23.79 C ATOM 0 H MET A 135 -9.650 -5.256 -22.872 1.00 23.66 H new ATOM 0 HA MET A 135 -8.964 -8.090 -23.347 1.00 22.72 H new ATOM 0 HB2 MET A 135 -7.147 -5.779 -24.084 1.00 23.01 H new ATOM 0 HB3 MET A 135 -6.927 -7.479 -24.448 1.00 23.01 H new ATOM 0 HG2 MET A 135 -9.043 -7.334 -25.868 1.00 24.25 H new ATOM 0 HG3 MET A 135 -8.982 -5.597 -25.644 1.00 24.25 H new ATOM 0 HE1 MET A 135 -5.703 -8.124 -27.631 1.00 23.79 H new ATOM 0 HE2 MET A 135 -6.804 -8.593 -26.313 1.00 23.79 H new ATOM 0 HE3 MET A 135 -7.393 -8.549 -27.992 1.00 23.79 H new ATOM 2062 N ILE A 136 -7.158 -7.995 -21.514 1.00 20.64 N ATOM 2063 CA ILE A 136 -6.425 -8.010 -20.251 1.00 19.48 C ATOM 2064 C ILE A 136 -4.918 -8.008 -20.475 1.00 18.80 C ATOM 2065 O ILE A 136 -4.394 -8.768 -21.281 1.00 18.85 O ATOM 2066 CB ILE A 136 -6.794 -9.239 -19.394 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -8.254 -9.163 -18.937 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -5.855 -9.357 -18.198 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -8.568 -7.957 -18.074 1.00 19.77 C ATOM 0 H ILE A 136 -7.042 -8.835 -22.081 1.00 20.64 H new ATOM 0 HA ILE A 136 -6.712 -7.101 -19.722 1.00 19.48 H new ATOM 0 HB ILE A 136 -6.680 -10.133 -20.007 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -8.899 -9.146 -19.816 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -8.497 -10.068 -18.381 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -6.130 -10.229 -17.604 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -4.829 -9.466 -18.550 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -5.934 -8.460 -17.583 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -9.621 -7.976 -17.792 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -7.951 -7.982 -17.176 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -8.358 -7.045 -18.633 1.00 19.77 H new ATOM 2081 N ASN A 137 -4.234 -7.153 -19.729 1.00 18.27 N ATOM 2082 CA ASN A 137 -2.784 -7.031 -19.812 1.00 17.67 C ATOM 2083 C ASN A 137 -2.156 -7.482 -18.499 1.00 16.40 C ATOM 2084 O ASN A 137 -2.838 -7.519 -17.479 1.00 16.12 O ATOM 2085 CB ASN A 137 -2.382 -5.587 -20.123 1.00 18.25 C ATOM 2086 CG ASN A 137 -0.887 -5.434 -20.330 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -0.163 -5.170 -19.248 1.00 18.03 O flip ATOM 2088 ND2 ASN A 137 -0.390 -5.554 -21.449 1.00 18.49 N flip ATOM 0 H ASN A 137 -4.666 -6.525 -19.051 1.00 18.27 H new ATOM 0 HA ASN A 137 -2.423 -7.667 -20.620 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -2.906 -5.252 -21.018 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -2.701 -4.940 -19.306 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -0.985 -5.757 -22.252 1.00 18.49 H new ATOM 0 HD22 ASN A 137 0.617 -5.450 -21.574 1.00 18.49 H new ATOM 2095 N TYR A 138 -0.877 -7.853 -18.530 1.00 15.73 N ATOM 2096 CA TYR A 138 -0.178 -8.310 -17.326 1.00 14.51 C ATOM 2097 C TYR A 138 -0.588 -7.505 -16.087 1.00 14.21 C ATOM 2098 O TYR A 138 -0.555 -8.015 -14.968 1.00 13.35 O ATOM 2099 CB TYR A 138 1.339 -8.216 -17.534 1.00 14.11 C ATOM 2100 CG TYR A 138 2.142 -8.302 -16.254 1.00 12.93 C ATOM 2101 CD1 TYR A 138 2.100 -9.442 -15.463 1.00 12.24 C ATOM 2102 CD2 TYR A 138 2.944 -7.245 -15.842 1.00 12.60 C ATOM 2103 CE1 TYR A 138 2.835 -9.527 -14.295 1.00 11.18 C ATOM 2104 CE2 TYR A 138 3.682 -7.322 -14.676 1.00 11.56 C ATOM 2105 CZ TYR A 138 3.614 -8.455 -13.899 1.00 10.81 C ATOM 2106 OH TYR A 138 4.358 -8.547 -12.744 1.00 9.80 O ATOM 0 H TYR A 138 -0.303 -7.847 -19.373 1.00 15.73 H new ATOM 0 HA TYR A 138 -0.461 -9.348 -17.153 1.00 14.51 H new ATOM 0 HB2 TYR A 138 1.654 -9.017 -18.203 1.00 14.11 H new ATOM 0 HB3 TYR A 138 1.569 -7.275 -18.033 1.00 14.11 H new ATOM 0 HD1 TYR A 138 1.483 -10.276 -15.765 1.00 12.24 H new ATOM 0 HD2 TYR A 138 2.992 -6.349 -16.443 1.00 12.60 H new ATOM 0 HE1 TYR A 138 2.801 -10.425 -13.696 1.00 11.18 H new ATOM 0 HE2 TYR A 138 4.310 -6.496 -14.376 1.00 11.56 H new ATOM 0 HH TYR A 138 4.851 -7.712 -12.605 1.00 9.80 H new ATOM 2116 N GLU A 139 -1.004 -6.260 -16.294 1.00 15.05 N ATOM 2117 CA GLU A 139 -1.417 -5.403 -15.190 1.00 15.05 C ATOM 2118 C GLU A 139 -2.841 -5.732 -14.753 1.00 15.40 C ATOM 2119 O GLU A 139 -3.090 -6.018 -13.581 1.00 14.88 O ATOM 2120 CB GLU A 139 -1.316 -3.929 -15.589 1.00 16.02 C ATOM 2121 CG GLU A 139 0.101 -3.483 -15.915 1.00 15.89 C ATOM 2122 CD GLU A 139 0.177 -2.019 -16.302 1.00 16.64 C ATOM 2123 OE1 GLU A 139 0.191 -1.165 -15.392 1.00 16.91 O ATOM 2124 OE2 GLU A 139 0.221 -1.727 -17.516 1.00 17.06 O ATOM 0 H GLU A 139 -1.064 -5.823 -17.214 1.00 15.05 H new ATOM 0 HA GLU A 139 -0.747 -5.586 -14.350 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -1.953 -3.751 -16.456 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -1.704 -3.314 -14.777 1.00 16.02 H new ATOM 0 HG2 GLU A 139 0.742 -3.660 -15.051 1.00 15.89 H new ATOM 0 HG3 GLU A 139 0.491 -4.091 -16.731 1.00 15.89 H new ATOM 2131 N GLU A 140 -3.773 -5.695 -15.703 1.00 16.39 N ATOM 2132 CA GLU A 140 -5.170 -5.996 -15.409 1.00 16.95 C ATOM 2133 C GLU A 140 -5.297 -7.407 -14.840 1.00 16.22 C ATOM 2134 O GLU A 140 -6.122 -7.667 -13.963 1.00 16.37 O ATOM 2135 CB GLU A 140 -6.033 -5.875 -16.670 1.00 18.12 C ATOM 2136 CG GLU A 140 -5.584 -4.788 -17.635 1.00 18.79 C ATOM 2137 CD GLU A 140 -6.733 -4.233 -18.452 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -7.667 -5.001 -18.763 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -6.696 -3.031 -18.782 1.00 20.75 O ATOM 0 H GLU A 140 -3.586 -5.461 -16.678 1.00 16.39 H new ATOM 0 HA GLU A 140 -5.522 -5.274 -14.672 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -6.029 -6.832 -17.192 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -7.063 -5.678 -16.373 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -5.116 -3.979 -17.075 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -4.826 -5.192 -18.306 1.00 18.79 H new ATOM 2146 N PHE A 141 -4.464 -8.308 -15.348 1.00 15.58 N ATOM 2147 CA PHE A 141 -4.467 -9.697 -14.914 1.00 14.98 C ATOM 2148 C PHE A 141 -4.076 -9.812 -13.444 1.00 14.05 C ATOM 2149 O PHE A 141 -4.813 -10.383 -12.644 1.00 14.12 O ATOM 2150 CB PHE A 141 -3.503 -10.515 -15.781 1.00 14.62 C ATOM 2151 CG PHE A 141 -3.437 -11.968 -15.409 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -2.566 -12.407 -14.426 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -4.244 -12.895 -16.048 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -2.499 -13.744 -14.089 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -4.184 -14.231 -15.713 1.00 14.61 C ATOM 2156 CZ PHE A 141 -3.322 -14.654 -14.712 1.00 13.73 C ATOM 0 H PHE A 141 -3.772 -8.097 -16.067 1.00 15.58 H new ATOM 0 HA PHE A 141 -5.477 -10.090 -15.028 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -3.807 -10.430 -16.824 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -2.505 -10.084 -15.704 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -1.932 -11.696 -13.917 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -4.928 -12.568 -16.817 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -1.800 -14.076 -13.336 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -4.807 -14.947 -16.229 1.00 14.61 H new ATOM 0 HZ PHE A 141 -3.297 -15.694 -14.423 1.00 13.73 H new ATOM 2166 N VAL A 142 -2.913 -9.267 -13.099 1.00 13.29 N ATOM 2167 CA VAL A 142 -2.419 -9.305 -11.726 1.00 12.40 C ATOM 2168 C VAL A 142 -3.479 -8.827 -10.731 1.00 12.96 C ATOM 2169 O VAL A 142 -3.626 -9.393 -9.645 1.00 12.60 O ATOM 2170 CB VAL A 142 -1.141 -8.450 -11.570 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -0.829 -8.194 -10.101 1.00 11.29 C ATOM 2172 CG2 VAL A 142 0.034 -9.135 -12.250 1.00 11.16 C ATOM 0 H VAL A 142 -2.293 -8.792 -13.755 1.00 13.29 H new ATOM 0 HA VAL A 142 -2.181 -10.345 -11.505 1.00 12.40 H new ATOM 0 HB VAL A 142 -1.315 -7.487 -12.050 1.00 11.84 H new ATOM 0 HG11 VAL A 142 0.075 -7.590 -10.021 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -1.662 -7.664 -9.639 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -0.677 -9.145 -9.590 1.00 11.29 H new ATOM 0 HG21 VAL A 142 0.929 -8.523 -12.134 1.00 11.16 H new ATOM 0 HG22 VAL A 142 0.200 -10.111 -11.794 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -0.183 -9.262 -13.311 1.00 11.16 H new ATOM 2182 N TRP A 143 -4.222 -7.795 -11.113 1.00 13.99 N ATOM 2183 CA TRP A 143 -5.253 -7.236 -10.244 1.00 14.75 C ATOM 2184 C TRP A 143 -6.379 -8.233 -9.965 1.00 15.22 C ATOM 2185 O TRP A 143 -6.765 -8.430 -8.815 1.00 15.27 O ATOM 2186 CB TRP A 143 -5.843 -5.965 -10.860 1.00 15.86 C ATOM 2187 CG TRP A 143 -6.871 -5.313 -9.988 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -6.666 -4.360 -9.033 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -8.269 -5.584 -9.990 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -7.861 -4.024 -8.440 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -8.861 -4.765 -9.014 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -9.071 -6.445 -10.731 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -10.231 -4.786 -8.759 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -10.431 -6.468 -10.481 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -10.999 -5.644 -9.501 1.00 19.83 C ATOM 0 H TRP A 143 -4.131 -7.329 -12.016 1.00 13.99 H new ATOM 0 HA TRP A 143 -4.770 -6.998 -9.296 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -5.039 -5.256 -11.056 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -6.293 -6.210 -11.822 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -5.707 -3.933 -8.780 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -7.983 -3.337 -7.696 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -8.640 -7.084 -11.488 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -10.671 -4.150 -8.005 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -11.065 -7.132 -11.050 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -12.064 -5.686 -9.327 1.00 19.83 H new ATOM 2206 N MET A 144 -6.904 -8.857 -11.017 1.00 15.69 N ATOM 2207 CA MET A 144 -8.012 -9.801 -10.864 1.00 16.33 C ATOM 2208 C MET A 144 -7.567 -11.141 -10.280 1.00 15.63 C ATOM 2209 O MET A 144 -8.295 -11.746 -9.492 1.00 16.10 O ATOM 2210 CB MET A 144 -8.712 -10.023 -12.207 1.00 17.12 C ATOM 2211 CG MET A 144 -7.908 -10.854 -13.194 1.00 16.59 C ATOM 2212 SD MET A 144 -8.665 -10.903 -14.829 1.00 17.69 S ATOM 2213 CE MET A 144 -7.474 -11.895 -15.722 1.00 17.05 C ATOM 0 H MET A 144 -6.585 -8.729 -11.977 1.00 15.69 H new ATOM 0 HA MET A 144 -8.710 -9.356 -10.155 1.00 16.33 H new ATOM 0 HB2 MET A 144 -9.669 -10.514 -12.029 1.00 17.12 H new ATOM 0 HB3 MET A 144 -8.929 -9.054 -12.656 1.00 17.12 H new ATOM 0 HG2 MET A 144 -6.901 -10.444 -13.275 1.00 16.59 H new ATOM 0 HG3 MET A 144 -7.808 -11.870 -12.812 1.00 16.59 H new ATOM 0 HE1 MET A 144 -7.353 -11.498 -16.730 1.00 17.05 H new ATOM 0 HE2 MET A 144 -6.516 -11.867 -15.203 1.00 17.05 H new ATOM 0 HE3 MET A 144 -7.827 -12.925 -15.777 1.00 17.05 H new ATOM 2223 N ILE A 145 -6.383 -11.609 -10.663 1.00 14.62 N ATOM 2224 CA ILE A 145 -5.884 -12.889 -10.169 1.00 14.03 C ATOM 2225 C ILE A 145 -5.692 -12.868 -8.656 1.00 13.62 C ATOM 2226 O ILE A 145 -5.891 -13.879 -7.982 1.00 13.74 O ATOM 2227 CB ILE A 145 -4.561 -13.298 -10.842 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -4.122 -14.667 -10.329 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -3.485 -12.262 -10.573 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -3.064 -15.333 -11.182 1.00 12.37 C ATOM 0 H ILE A 145 -5.756 -11.127 -11.307 1.00 14.62 H new ATOM 0 HA ILE A 145 -6.644 -13.627 -10.425 1.00 14.03 H new ATOM 0 HB ILE A 145 -4.717 -13.356 -11.919 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -3.740 -14.558 -9.314 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -4.993 -15.320 -10.274 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -2.557 -12.567 -11.056 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -3.801 -11.298 -10.971 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -3.323 -12.176 -9.498 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -2.806 -16.301 -10.752 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -3.448 -15.476 -12.192 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -2.175 -14.703 -11.217 1.00 12.37 H new ATOM 2242 N SER A 146 -5.297 -11.718 -8.127 1.00 13.30 N ATOM 2243 CA SER A 146 -5.094 -11.577 -6.689 1.00 13.04 C ATOM 2244 C SER A 146 -6.417 -11.752 -5.953 1.00 14.17 C ATOM 2245 O SER A 146 -6.448 -11.926 -4.735 1.00 14.26 O ATOM 2246 CB SER A 146 -4.490 -10.210 -6.363 1.00 12.74 C ATOM 2247 OG SER A 146 -5.371 -9.162 -6.728 1.00 12.48 O ATOM 0 H SER A 146 -5.111 -10.873 -8.667 1.00 13.30 H new ATOM 0 HA SER A 146 -4.400 -12.351 -6.361 1.00 13.04 H new ATOM 0 HB2 SER A 146 -4.272 -10.151 -5.297 1.00 12.74 H new ATOM 0 HB3 SER A 146 -3.543 -10.093 -6.889 1.00 12.74 H new ATOM 0 HG SER A 146 -5.608 -9.249 -7.675 1.00 12.48 H new ATOM 2253 N GLN A 147 -7.509 -11.701 -6.712 1.00 15.13 N ATOM 2254 CA GLN A 147 -8.849 -11.840 -6.153 1.00 16.31 C ATOM 2255 C GLN A 147 -9.368 -13.268 -6.304 1.00 16.62 C ATOM 2256 O GLN A 147 -10.442 -13.602 -5.802 1.00 17.39 O ATOM 2257 CB GLN A 147 -9.798 -10.866 -6.850 1.00 17.27 C ATOM 2258 CG GLN A 147 -9.130 -9.565 -7.261 1.00 17.07 C ATOM 2259 CD GLN A 147 -8.731 -8.704 -6.075 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -8.424 -9.210 -4.996 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -8.732 -7.391 -6.272 1.00 17.09 N ATOM 0 H GLN A 147 -7.490 -11.563 -7.723 1.00 15.13 H new ATOM 0 HA GLN A 147 -8.801 -11.610 -5.089 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -10.216 -11.347 -7.735 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -10.632 -10.643 -6.184 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -8.244 -9.789 -7.855 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -9.808 -9.001 -7.901 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -8.993 -7.012 -7.182 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -8.472 -6.761 -5.513 1.00 17.09 H new ATOM 2270 N LYS A 148 -8.603 -14.104 -7.002 1.00 16.13 N ATOM 2271 CA LYS A 148 -8.984 -15.497 -7.222 1.00 16.53 C ATOM 2272 C LYS A 148 -9.259 -16.207 -5.899 1.00 16.32 C ATOM 2273 O LYS A 148 -8.289 -16.685 -5.272 1.00 16.11 O ATOM 2274 CB LYS A 148 -7.885 -16.234 -7.990 1.00 16.16 C ATOM 2275 CG LYS A 148 -7.708 -15.748 -9.420 1.00 16.47 C ATOM 2276 CD LYS A 148 -8.380 -16.678 -10.416 1.00 16.26 C ATOM 2277 CE LYS A 148 -8.410 -16.074 -11.811 1.00 16.41 C ATOM 2278 NZ LYS A 148 -7.043 -15.764 -12.313 1.00 16.72 N ATOM 2279 OXT LYS A 148 -10.441 -16.279 -5.501 1.00 16.50 O ATOM 0 H LYS A 148 -7.714 -13.840 -7.426 1.00 16.13 H new ATOM 0 HA LYS A 148 -9.900 -15.505 -7.813 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -6.941 -16.118 -7.457 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -8.115 -17.299 -8.003 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -8.126 -14.746 -9.518 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -6.645 -15.674 -9.651 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -7.849 -17.630 -10.442 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -9.398 -16.890 -10.088 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -8.899 -16.767 -12.496 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -9.007 -15.162 -11.799 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -6.953 -16.088 -13.297 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -6.882 -14.737 -12.270 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -6.338 -16.250 -11.723 1.00 16.72 H new