USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 37 ASN : amide:sc= 2.24 K(o=3.6,f=-0.9) USER MOD Set 1.2: A 74 SER OG : rot 106:sc= 1.36 USER MOD Set 2.1: A 68 ASN : amide:sc= -0.012 K(o=1.4,f=-0.19) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -150:sc= 1.37 (180deg=1.26) USER MOD Set 3.1: A 41 THR OG1 : rot 110:sc= 1.37 USER MOD Set 3.2: A 75 CYS SG : rot 121:sc= -0.19! USER MOD Set 4.1: A 27 THR OG1 : rot 80:sc= -1.35 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.868 K(o=-0.49,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.33 (180deg=1.79) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 3 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0326) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.08 K(o=1.1,f=-0.26) USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 2.39 (180deg=2.03) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.956 X(o=-0.96,f=-1) USER MOD Single : A 28 TYR OH : rot -33:sc= 0.26 USER MOD Single : A 33 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0115 K(o=-0.011,f=-0.76) USER MOD Single : A 44 SER OG : rot 180:sc=0.000528 USER MOD Single : A 50 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= 0.309 (180deg=0.0276) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.14) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.182) USER MOD Single : A 63 HIS : no HE2:sc= 0.332 K(o=0.33,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= 0.0474 X(o=0.047,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.113 USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= 1.13 (180deg=-0.718) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 167:sc= 0 (180deg=-0.192) USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= 1.5 (180deg=1.03) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0414 K(o=-0.041,f=-1.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 97 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.043) USER MOD Single : A 98 HIS : no HE2:sc= -0.368 K(o=-0.37,f=-7!) USER MOD Single : A 99 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.03) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO O2B : rot -91:sc= 0.404 USER MOD Single : A 103 ACO OAP : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.750 -2.489 0.058 1.00 6.95 N ATOM 2 CA MET A 1 21.923 -2.247 1.258 1.00 6.01 C ATOM 3 C MET A 1 22.497 -1.090 2.062 1.00 5.28 C ATOM 4 O MET A 1 23.675 -0.751 1.921 1.00 5.28 O ATOM 5 CB MET A 1 21.843 -3.510 2.127 1.00 5.80 C ATOM 6 CG MET A 1 23.070 -3.765 2.990 1.00 6.10 C ATOM 7 SD MET A 1 24.539 -4.152 2.022 1.00 6.20 S ATOM 8 CE MET A 1 25.723 -4.452 3.332 1.00 6.73 C ATOM 0 H1 MET A 1 22.197 -3.022 -0.643 1.00 6.95 H new ATOM 0 H2 MET A 1 23.043 -1.579 -0.351 1.00 6.95 H new ATOM 0 H3 MET A 1 23.593 -3.037 0.322 1.00 6.95 H new ATOM 0 HA MET A 1 20.914 -1.989 0.936 1.00 6.01 H new ATOM 0 HB2 MET A 1 20.969 -3.435 2.774 1.00 5.80 H new ATOM 0 HB3 MET A 1 21.686 -4.372 1.478 1.00 5.80 H new ATOM 0 HG2 MET A 1 23.266 -2.885 3.603 1.00 6.10 H new ATOM 0 HG3 MET A 1 22.863 -4.589 3.673 1.00 6.10 H new ATOM 0 HE1 MET A 1 26.690 -4.706 2.897 1.00 6.73 H new ATOM 0 HE2 MET A 1 25.824 -3.555 3.944 1.00 6.73 H new ATOM 0 HE3 MET A 1 25.377 -5.278 3.953 1.00 6.73 H new ATOM 20 N SER A 2 21.669 -0.494 2.902 1.00 5.03 N ATOM 21 CA SER A 2 22.085 0.629 3.722 1.00 4.69 C ATOM 22 C SER A 2 21.262 0.673 5.004 1.00 3.60 C ATOM 23 O SER A 2 21.773 0.416 6.093 1.00 3.51 O ATOM 24 CB SER A 2 21.919 1.930 2.934 1.00 5.46 C ATOM 25 OG SER A 2 20.764 1.875 2.109 1.00 6.47 O ATOM 0 H SER A 2 20.697 -0.772 3.034 1.00 5.03 H new ATOM 0 HA SER A 2 23.135 0.511 3.990 1.00 4.69 H new ATOM 0 HB2 SER A 2 21.840 2.771 3.623 1.00 5.46 H new ATOM 0 HB3 SER A 2 22.802 2.104 2.320 1.00 5.46 H new ATOM 0 HG SER A 2 20.675 2.717 1.615 1.00 6.47 H new ATOM 31 N ASN A 3 19.987 0.989 4.852 1.00 3.10 N ATOM 32 CA ASN A 3 19.063 1.058 5.974 1.00 2.27 C ATOM 33 C ASN A 3 17.644 0.880 5.463 1.00 2.15 C ATOM 34 O ASN A 3 17.333 1.280 4.338 1.00 2.83 O ATOM 35 CB ASN A 3 19.189 2.396 6.704 1.00 2.40 C ATOM 36 CG ASN A 3 18.858 2.286 8.179 1.00 2.63 C ATOM 37 OD1 ASN A 3 17.696 2.143 8.565 1.00 2.70 O ATOM 38 ND2 ASN A 3 19.880 2.366 9.016 1.00 3.35 N ATOM 0 H ASN A 3 19.563 1.205 3.950 1.00 3.10 H new ATOM 0 HA ASN A 3 19.306 0.263 6.679 1.00 2.27 H new ATOM 0 HB2 ASN A 3 20.205 2.774 6.590 1.00 2.40 H new ATOM 0 HB3 ASN A 3 18.524 3.124 6.239 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.721 2.309 10.022 1.00 3.35 H new ATOM 0 HD22 ASN A 3 20.827 2.484 8.655 1.00 3.35 H new ATOM 45 N LEU A 4 16.784 0.289 6.275 1.00 1.64 N ATOM 46 CA LEU A 4 15.403 0.060 5.877 1.00 1.54 C ATOM 47 C LEU A 4 14.512 1.216 6.316 1.00 1.65 C ATOM 48 O LEU A 4 13.524 1.029 7.035 1.00 2.49 O ATOM 49 CB LEU A 4 14.890 -1.271 6.437 1.00 1.47 C ATOM 50 CG LEU A 4 15.545 -2.519 5.838 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.700 -2.985 6.707 1.00 2.06 C ATOM 52 CD2 LEU A 4 14.523 -3.629 5.663 1.00 2.10 C ATOM 0 H LEU A 4 17.016 -0.041 7.212 1.00 1.64 H new ATOM 0 HA LEU A 4 15.368 0.005 4.789 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.046 -1.279 7.516 1.00 1.47 H new ATOM 0 HB3 LEU A 4 13.814 -1.328 6.271 1.00 1.47 H new ATOM 0 HG LEU A 4 15.939 -2.261 4.855 1.00 1.63 H new ATOM 0 HD11 LEU A 4 17.153 -3.873 6.265 1.00 2.06 H new ATOM 0 HD12 LEU A 4 17.446 -2.193 6.776 1.00 2.06 H new ATOM 0 HD13 LEU A 4 16.331 -3.224 7.705 1.00 2.06 H new ATOM 0 HD21 LEU A 4 15.009 -4.507 5.236 1.00 2.10 H new ATOM 0 HD22 LEU A 4 14.096 -3.886 6.632 1.00 2.10 H new ATOM 0 HD23 LEU A 4 13.731 -3.292 4.995 1.00 2.10 H new ATOM 64 N GLU A 5 14.872 2.412 5.872 1.00 1.13 N ATOM 65 CA GLU A 5 14.120 3.614 6.195 1.00 1.19 C ATOM 66 C GLU A 5 13.009 3.820 5.174 1.00 1.05 C ATOM 67 O GLU A 5 13.195 3.561 3.985 1.00 1.01 O ATOM 68 CB GLU A 5 15.046 4.834 6.217 1.00 1.48 C ATOM 69 CG GLU A 5 16.045 4.822 7.359 1.00 1.61 C ATOM 70 CD GLU A 5 15.437 5.272 8.672 1.00 2.22 C ATOM 71 OE1 GLU A 5 14.583 4.542 9.220 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.811 6.359 9.164 1.00 2.57 O ATOM 0 H GLU A 5 15.688 2.575 5.282 1.00 1.13 H new ATOM 0 HA GLU A 5 13.678 3.496 7.184 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.588 4.885 5.273 1.00 1.48 H new ATOM 0 HB3 GLU A 5 14.440 5.738 6.286 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.446 3.815 7.475 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.884 5.472 7.110 1.00 1.61 H new ATOM 79 N ILE A 6 11.853 4.272 5.643 1.00 1.00 N ATOM 80 CA ILE A 6 10.713 4.503 4.767 1.00 0.88 C ATOM 81 C ILE A 6 10.915 5.756 3.921 1.00 0.86 C ATOM 82 O ILE A 6 10.648 6.876 4.369 1.00 0.90 O ATOM 83 CB ILE A 6 9.394 4.636 5.562 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.228 3.454 6.521 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.208 4.723 4.607 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.015 3.561 7.415 1.00 0.92 C ATOM 0 H ILE A 6 11.681 4.486 6.625 1.00 1.00 H new ATOM 0 HA ILE A 6 10.641 3.633 4.115 1.00 0.88 H new ATOM 0 HB ILE A 6 9.431 5.553 6.150 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.160 2.534 5.941 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.120 3.374 7.142 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.286 4.816 5.180 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.324 5.594 3.961 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.166 3.821 3.996 1.00 0.79 H new ATOM 0 HD11 ILE A 6 7.964 2.688 8.066 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.089 4.463 8.023 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.115 3.610 6.802 1.00 0.92 H new ATOM 98 N LYS A 7 11.409 5.563 2.709 1.00 0.86 N ATOM 99 CA LYS A 7 11.629 6.664 1.788 1.00 0.89 C ATOM 100 C LYS A 7 10.323 7.002 1.083 1.00 0.79 C ATOM 101 O LYS A 7 9.696 6.134 0.475 1.00 0.74 O ATOM 102 CB LYS A 7 12.706 6.298 0.759 1.00 0.99 C ATOM 103 CG LYS A 7 14.110 6.193 1.342 1.00 1.10 C ATOM 104 CD LYS A 7 14.705 7.565 1.624 1.00 1.61 C ATOM 105 CE LYS A 7 15.067 8.299 0.339 1.00 1.77 C ATOM 106 NZ LYS A 7 16.284 7.736 -0.303 1.00 2.23 N ATOM 0 H LYS A 7 11.666 4.648 2.339 1.00 0.86 H new ATOM 0 HA LYS A 7 11.974 7.533 2.349 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.444 5.346 0.297 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.707 7.047 -0.032 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.079 5.613 2.264 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.753 5.653 0.647 1.00 1.10 H new ATOM 0 HD2 LYS A 7 13.992 8.160 2.194 1.00 1.61 H new ATOM 0 HD3 LYS A 7 15.595 7.455 2.243 1.00 1.61 H new ATOM 0 HE2 LYS A 7 14.231 8.243 -0.358 1.00 1.77 H new ATOM 0 HE3 LYS A 7 15.229 9.354 0.558 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.552 8.327 -1.116 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.063 7.719 0.385 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.089 6.768 -0.628 1.00 2.23 H new ATOM 120 N GLN A 8 9.900 8.249 1.179 1.00 0.81 N ATOM 121 CA GLN A 8 8.663 8.666 0.545 1.00 0.78 C ATOM 122 C GLN A 8 8.948 9.413 -0.744 1.00 0.90 C ATOM 123 O GLN A 8 9.746 10.351 -0.775 1.00 1.15 O ATOM 124 CB GLN A 8 7.821 9.528 1.489 1.00 0.93 C ATOM 125 CG GLN A 8 8.625 10.540 2.275 1.00 1.29 C ATOM 126 CD GLN A 8 7.809 11.196 3.369 1.00 1.76 C ATOM 127 OE1 GLN A 8 7.734 10.691 4.488 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.180 12.316 3.051 1.00 1.94 N ATOM 0 H GLN A 8 10.390 8.986 1.686 1.00 0.81 H new ATOM 0 HA GLN A 8 8.091 7.769 0.307 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.063 10.053 0.907 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.293 8.877 2.186 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.492 10.048 2.716 1.00 1.29 H new ATOM 0 HG3 GLN A 8 9.003 11.306 1.598 1.00 1.29 H new ATOM 0 HE21 GLN A 8 7.269 12.702 2.111 1.00 1.94 H new ATOM 0 HE22 GLN A 8 6.606 12.794 3.746 1.00 1.94 H new ATOM 137 N GLY A 9 8.298 8.975 -1.801 1.00 0.87 N ATOM 138 CA GLY A 9 8.465 9.587 -3.098 1.00 1.04 C ATOM 139 C GLY A 9 7.160 10.152 -3.610 1.00 0.71 C ATOM 140 O GLY A 9 6.240 10.380 -2.824 1.00 0.83 O ATOM 0 H GLY A 9 7.645 8.192 -1.785 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.208 10.382 -3.035 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.847 8.850 -3.804 1.00 1.04 H new ATOM 144 N GLU A 10 7.079 10.360 -4.921 1.00 1.04 N ATOM 145 CA GLU A 10 5.885 10.904 -5.563 1.00 0.82 C ATOM 146 C GLU A 10 4.665 10.015 -5.313 1.00 0.70 C ATOM 147 O GLU A 10 4.416 9.064 -6.061 1.00 0.72 O ATOM 148 CB GLU A 10 6.139 11.053 -7.069 1.00 0.79 C ATOM 149 CG GLU A 10 5.267 12.097 -7.746 1.00 1.82 C ATOM 150 CD GLU A 10 3.874 11.590 -8.060 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.743 10.715 -8.937 1.00 2.65 O ATOM 152 OE2 GLU A 10 2.904 12.062 -7.423 1.00 3.19 O ATOM 0 H GLU A 10 7.840 10.156 -5.569 1.00 1.04 H new ATOM 0 HA GLU A 10 5.673 11.882 -5.131 1.00 0.82 H new ATOM 0 HB2 GLU A 10 7.186 11.313 -7.226 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.974 10.090 -7.551 1.00 0.79 H new ATOM 0 HG2 GLU A 10 5.192 12.973 -7.102 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.747 12.420 -8.670 1.00 1.82 H new ATOM 159 N ASN A 11 3.920 10.337 -4.252 1.00 0.63 N ATOM 160 CA ASN A 11 2.723 9.592 -3.865 1.00 0.59 C ATOM 161 C ASN A 11 3.022 8.101 -3.749 1.00 0.47 C ATOM 162 O ASN A 11 2.273 7.259 -4.258 1.00 0.44 O ATOM 163 CB ASN A 11 1.580 9.829 -4.862 1.00 0.71 C ATOM 164 CG ASN A 11 0.849 11.137 -4.625 1.00 0.73 C ATOM 165 OD1 ASN A 11 -0.078 11.207 -3.820 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.239 12.176 -5.344 1.00 1.38 N ATOM 0 H ASN A 11 4.132 11.123 -3.637 1.00 0.63 H new ATOM 0 HA ASN A 11 2.408 9.958 -2.888 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.982 9.822 -5.875 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.870 9.005 -4.795 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.766 13.074 -5.241 1.00 1.38 H new ATOM 0 HD22 ASN A 11 2.012 12.079 -6.002 1.00 1.38 H new ATOM 173 N LYS A 12 4.122 7.775 -3.078 1.00 0.45 N ATOM 174 CA LYS A 12 4.522 6.388 -2.904 1.00 0.43 C ATOM 175 C LYS A 12 5.584 6.249 -1.821 1.00 0.46 C ATOM 176 O LYS A 12 6.285 7.205 -1.497 1.00 0.55 O ATOM 177 CB LYS A 12 5.070 5.825 -4.220 1.00 0.50 C ATOM 178 CG LYS A 12 6.420 6.405 -4.624 1.00 0.65 C ATOM 179 CD LYS A 12 7.110 5.542 -5.666 1.00 0.59 C ATOM 180 CE LYS A 12 8.576 5.914 -5.815 1.00 0.73 C ATOM 181 NZ LYS A 12 9.249 5.110 -6.865 1.00 0.94 N ATOM 0 H LYS A 12 4.750 8.453 -2.647 1.00 0.45 H new ATOM 0 HA LYS A 12 3.638 5.827 -2.601 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.163 4.743 -4.130 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.350 6.019 -5.015 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.281 7.411 -5.019 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.057 6.493 -3.744 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.027 4.492 -5.384 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.605 5.655 -6.626 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.658 6.973 -6.061 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.086 5.767 -4.863 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.254 4.994 -6.623 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.798 4.175 -6.929 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 9.167 5.597 -7.781 1.00 0.94 H new ATOM 195 N PHE A 13 5.693 5.052 -1.274 1.00 0.46 N ATOM 196 CA PHE A 13 6.685 4.751 -0.255 1.00 0.50 C ATOM 197 C PHE A 13 7.531 3.580 -0.733 1.00 0.50 C ATOM 198 O PHE A 13 6.993 2.591 -1.234 1.00 0.46 O ATOM 199 CB PHE A 13 6.021 4.405 1.083 1.00 0.51 C ATOM 200 CG PHE A 13 5.256 5.537 1.710 1.00 0.53 C ATOM 201 CD1 PHE A 13 5.917 6.540 2.398 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.875 5.590 1.624 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.217 7.574 2.988 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.169 6.620 2.215 1.00 0.59 C ATOM 205 CZ PHE A 13 3.840 7.614 2.896 1.00 0.65 C ATOM 0 H PHE A 13 5.098 4.262 -1.522 1.00 0.46 H new ATOM 0 HA PHE A 13 7.309 5.630 -0.096 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.343 3.565 0.931 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.790 4.072 1.780 1.00 0.51 H new ATOM 0 HD1 PHE A 13 6.994 6.514 2.474 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.344 4.817 1.089 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.746 8.350 3.521 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.092 6.647 2.144 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.290 8.421 3.356 1.00 0.65 H new ATOM 215 N TYR A 14 8.842 3.686 -0.595 1.00 0.60 N ATOM 216 CA TYR A 14 9.732 2.624 -1.040 1.00 0.64 C ATOM 217 C TYR A 14 10.925 2.477 -0.109 1.00 0.69 C ATOM 218 O TYR A 14 11.400 3.452 0.473 1.00 0.75 O ATOM 219 CB TYR A 14 10.207 2.884 -2.479 1.00 0.67 C ATOM 220 CG TYR A 14 10.996 4.168 -2.662 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.368 5.407 -2.610 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.369 4.140 -2.875 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.085 6.578 -2.772 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.094 5.307 -3.037 1.00 1.04 C ATOM 225 CZ TYR A 14 12.440 6.524 -3.011 1.00 1.03 C ATOM 226 OH TYR A 14 13.164 7.689 -3.143 1.00 1.16 O ATOM 0 H TYR A 14 9.313 4.491 -0.181 1.00 0.60 H new ATOM 0 HA TYR A 14 9.171 1.690 -1.019 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.824 2.045 -2.801 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.337 2.911 -3.135 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.303 5.456 -2.440 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.880 3.189 -2.915 1.00 0.93 H new ATOM 0 HE1 TYR A 14 10.584 7.533 -2.711 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.163 5.267 -3.183 1.00 1.04 H new ATOM 0 HH TYR A 14 14.106 7.472 -3.307 1.00 1.16 H new ATOM 236 N ILE A 15 11.388 1.248 0.043 1.00 0.71 N ATOM 237 CA ILE A 15 12.537 0.953 0.881 1.00 0.78 C ATOM 238 C ILE A 15 13.522 0.088 0.110 1.00 0.92 C ATOM 239 O ILE A 15 13.154 -0.955 -0.432 1.00 0.92 O ATOM 240 CB ILE A 15 12.138 0.229 2.190 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.319 1.155 3.092 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.375 -0.268 2.927 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.778 0.477 4.333 1.00 0.71 C ATOM 0 H ILE A 15 10.980 0.430 -0.409 1.00 0.71 H new ATOM 0 HA ILE A 15 12.995 1.904 1.153 1.00 0.78 H new ATOM 0 HB ILE A 15 11.522 -0.631 1.928 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.941 1.998 3.392 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.486 1.562 2.519 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.073 -0.774 3.844 1.00 0.80 H new ATOM 0 HG22 ILE A 15 13.922 -0.964 2.291 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.016 0.578 3.174 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.209 1.196 4.922 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.129 -0.349 4.043 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.607 0.095 4.929 1.00 0.71 H new ATOM 255 N GLY A 16 14.764 0.532 0.040 1.00 1.09 N ATOM 256 CA GLY A 16 15.770 -0.223 -0.662 1.00 1.26 C ATOM 257 C GLY A 16 17.091 0.502 -0.722 1.00 1.42 C ATOM 258 O GLY A 16 17.256 1.558 -0.108 1.00 1.52 O ATOM 0 H GLY A 16 15.092 1.403 0.458 1.00 1.09 H new ATOM 0 HA2 GLY A 16 15.908 -1.186 -0.170 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.425 -0.430 -1.675 1.00 1.26 H new ATOM 262 N ASP A 17 18.027 -0.065 -1.466 1.00 1.55 N ATOM 263 CA ASP A 17 19.354 0.519 -1.618 1.00 1.74 C ATOM 264 C ASP A 17 19.317 1.686 -2.597 1.00 1.66 C ATOM 265 O ASP A 17 20.016 2.685 -2.429 1.00 1.78 O ATOM 266 CB ASP A 17 20.330 -0.546 -2.117 1.00 1.95 C ATOM 267 CG ASP A 17 21.749 -0.031 -2.227 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.110 0.484 -3.304 1.00 2.14 O ATOM 269 OD2 ASP A 17 22.503 -0.122 -1.236 1.00 2.62 O ATOM 0 H ASP A 17 17.892 -0.936 -1.979 1.00 1.55 H new ATOM 0 HA ASP A 17 19.686 0.891 -0.649 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.309 -1.399 -1.439 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.002 -0.906 -3.092 1.00 1.95 H new ATOM 274 N ASP A 18 18.468 1.554 -3.601 1.00 1.53 N ATOM 275 CA ASP A 18 18.324 2.562 -4.638 1.00 1.48 C ATOM 276 C ASP A 18 16.881 2.573 -5.133 1.00 1.37 C ATOM 277 O ASP A 18 16.113 1.675 -4.789 1.00 1.29 O ATOM 278 CB ASP A 18 19.291 2.235 -5.783 1.00 1.53 C ATOM 279 CG ASP A 18 19.162 3.159 -6.973 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.776 4.240 -6.959 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.450 2.801 -7.933 1.00 1.41 O ATOM 0 H ASP A 18 17.859 0.745 -3.721 1.00 1.53 H new ATOM 0 HA ASP A 18 18.562 3.551 -4.245 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.313 2.282 -5.407 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.118 1.210 -6.110 1.00 1.53 H new ATOM 286 N GLU A 19 16.515 3.582 -5.919 1.00 1.41 N ATOM 287 CA GLU A 19 15.166 3.686 -6.468 1.00 1.38 C ATOM 288 C GLU A 19 14.835 2.438 -7.289 1.00 1.34 C ATOM 289 O GLU A 19 13.724 1.912 -7.223 1.00 1.34 O ATOM 290 CB GLU A 19 15.051 4.939 -7.343 1.00 1.49 C ATOM 291 CG GLU A 19 13.691 5.105 -8.007 1.00 1.76 C ATOM 292 CD GLU A 19 12.669 5.771 -7.109 1.00 2.08 C ATOM 293 OE1 GLU A 19 12.679 7.017 -7.013 1.00 2.43 O ATOM 294 OE2 GLU A 19 11.839 5.056 -6.513 1.00 2.72 O ATOM 0 H GLU A 19 17.137 4.343 -6.191 1.00 1.41 H new ATOM 0 HA GLU A 19 14.455 3.764 -5.646 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.255 5.818 -6.731 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.819 4.903 -8.115 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.807 5.695 -8.916 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.318 4.126 -8.308 1.00 1.76 H new ATOM 301 N ASN A 20 15.813 1.958 -8.050 1.00 1.37 N ATOM 302 CA ASN A 20 15.622 0.770 -8.874 1.00 1.39 C ATOM 303 C ASN A 20 15.893 -0.485 -8.053 1.00 1.40 C ATOM 304 O ASN A 20 15.379 -1.563 -8.349 1.00 1.52 O ATOM 305 CB ASN A 20 16.535 0.808 -10.100 1.00 1.48 C ATOM 306 CG ASN A 20 16.194 -0.277 -11.107 1.00 2.08 C ATOM 307 OD1 ASN A 20 15.223 -0.158 -11.856 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.995 -1.332 -11.147 1.00 2.15 N ATOM 0 H ASN A 20 16.743 2.372 -8.113 1.00 1.37 H new ATOM 0 HA ASN A 20 14.588 0.752 -9.219 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.455 1.784 -10.580 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.571 0.693 -9.782 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.817 -2.082 -11.815 1.00 2.15 H new ATOM 0 HD22 ASN A 20 17.789 -1.394 -10.510 1.00 2.15 H new ATOM 315 N ASN A 21 16.691 -0.327 -7.005 1.00 1.36 N ATOM 316 CA ASN A 21 17.037 -1.440 -6.125 1.00 1.38 C ATOM 317 C ASN A 21 16.111 -1.453 -4.919 1.00 1.25 C ATOM 318 O ASN A 21 16.543 -1.684 -3.786 1.00 1.23 O ATOM 319 CB ASN A 21 18.492 -1.341 -5.655 1.00 1.54 C ATOM 320 CG ASN A 21 19.489 -1.306 -6.800 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.240 -1.848 -7.877 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.631 -0.676 -6.573 1.00 2.45 N ATOM 0 H ASN A 21 17.113 0.563 -6.742 1.00 1.36 H new ATOM 0 HA ASN A 21 16.920 -2.366 -6.688 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.611 -0.442 -5.050 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.718 -2.191 -5.011 1.00 1.54 H new ATOM 0 HD21 ASN A 21 21.341 -0.628 -7.304 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.801 -0.239 -5.667 1.00 2.45 H new ATOM 329 N ALA A 22 14.840 -1.179 -5.167 1.00 1.19 N ATOM 330 CA ALA A 22 13.841 -1.159 -4.114 1.00 1.09 C ATOM 331 C ALA A 22 13.477 -2.577 -3.702 1.00 1.06 C ATOM 332 O ALA A 22 13.085 -3.394 -4.537 1.00 1.14 O ATOM 333 CB ALA A 22 12.602 -0.398 -4.571 1.00 1.04 C ATOM 0 H ALA A 22 14.476 -0.966 -6.096 1.00 1.19 H new ATOM 0 HA ALA A 22 14.259 -0.646 -3.248 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.863 -0.392 -3.770 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.876 0.627 -4.819 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.180 -0.884 -5.451 1.00 1.04 H new ATOM 339 N LEU A 23 13.614 -2.868 -2.418 1.00 0.99 N ATOM 340 CA LEU A 23 13.301 -4.191 -1.894 1.00 0.99 C ATOM 341 C LEU A 23 11.795 -4.325 -1.723 1.00 0.87 C ATOM 342 O LEU A 23 11.240 -5.425 -1.724 1.00 0.95 O ATOM 343 CB LEU A 23 14.006 -4.412 -0.554 1.00 1.05 C ATOM 344 CG LEU A 23 15.499 -4.068 -0.537 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.073 -4.242 0.862 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.259 -4.924 -1.540 1.00 1.37 C ATOM 0 H LEU A 23 13.941 -2.204 -1.716 1.00 0.99 H new ATOM 0 HA LEU A 23 13.652 -4.946 -2.597 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.503 -3.814 0.206 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.887 -5.457 -0.267 1.00 1.05 H new ATOM 0 HG LEU A 23 15.613 -3.023 -0.826 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.134 -3.993 0.853 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.551 -3.582 1.554 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.946 -5.276 1.181 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.317 -4.664 -1.512 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.137 -5.977 -1.286 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.868 -4.745 -2.541 1.00 1.37 H new ATOM 358 N ALA A 24 11.150 -3.178 -1.577 1.00 0.77 N ATOM 359 CA ALA A 24 9.713 -3.099 -1.417 1.00 0.66 C ATOM 360 C ALA A 24 9.240 -1.701 -1.787 1.00 0.60 C ATOM 361 O ALA A 24 9.844 -0.706 -1.377 1.00 0.67 O ATOM 362 CB ALA A 24 9.305 -3.449 0.007 1.00 0.71 C ATOM 0 H ALA A 24 11.616 -2.271 -1.567 1.00 0.77 H new ATOM 0 HA ALA A 24 9.241 -3.823 -2.081 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.221 -3.382 0.102 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.628 -4.464 0.239 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.773 -2.752 0.702 1.00 0.71 H new ATOM 368 N GLU A 25 8.182 -1.628 -2.576 1.00 0.54 N ATOM 369 CA GLU A 25 7.635 -0.351 -3.004 1.00 0.52 C ATOM 370 C GLU A 25 6.115 -0.413 -3.123 1.00 0.43 C ATOM 371 O GLU A 25 5.561 -1.352 -3.703 1.00 0.45 O ATOM 372 CB GLU A 25 8.244 0.065 -4.346 1.00 0.65 C ATOM 373 CG GLU A 25 7.627 1.326 -4.932 1.00 0.84 C ATOM 374 CD GLU A 25 7.992 1.526 -6.383 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.634 0.666 -7.213 1.00 1.02 O ATOM 376 OE2 GLU A 25 8.636 2.543 -6.704 1.00 1.33 O ATOM 0 H GLU A 25 7.682 -2.442 -2.935 1.00 0.54 H new ATOM 0 HA GLU A 25 7.890 0.391 -2.247 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.315 0.221 -4.216 1.00 0.65 H new ATOM 0 HB3 GLU A 25 8.125 -0.752 -5.058 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.542 1.274 -4.837 1.00 0.84 H new ATOM 0 HG3 GLU A 25 7.957 2.190 -4.355 1.00 0.84 H new ATOM 383 N ILE A 26 5.453 0.587 -2.566 1.00 0.40 N ATOM 384 CA ILE A 26 4.004 0.681 -2.619 1.00 0.33 C ATOM 385 C ILE A 26 3.600 2.047 -3.178 1.00 0.33 C ATOM 386 O ILE A 26 4.064 3.087 -2.705 1.00 0.38 O ATOM 387 CB ILE A 26 3.365 0.451 -1.227 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.844 0.609 -1.300 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.951 1.398 -0.189 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.138 0.259 -0.009 1.00 0.34 C ATOM 0 H ILE A 26 5.903 1.354 -2.066 1.00 0.40 H new ATOM 0 HA ILE A 26 3.633 -0.104 -3.278 1.00 0.33 H new ATOM 0 HB ILE A 26 3.594 -0.569 -0.918 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.606 1.639 -1.567 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.459 -0.025 -2.099 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.483 1.213 0.778 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.025 1.231 -0.110 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.765 2.429 -0.491 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.064 0.394 -0.134 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.346 -0.779 0.249 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.495 0.910 0.789 1.00 0.34 H new ATOM 402 N THR A 27 2.758 2.044 -4.200 1.00 0.33 N ATOM 403 CA THR A 27 2.324 3.283 -4.823 1.00 0.35 C ATOM 404 C THR A 27 0.828 3.497 -4.640 1.00 0.37 C ATOM 405 O THR A 27 0.060 2.535 -4.577 1.00 0.41 O ATOM 406 CB THR A 27 2.647 3.284 -6.331 1.00 0.40 C ATOM 407 OG1 THR A 27 2.182 2.068 -6.925 1.00 0.60 O ATOM 408 CG2 THR A 27 4.143 3.439 -6.579 1.00 0.51 C ATOM 0 H THR A 27 2.363 1.200 -4.614 1.00 0.33 H new ATOM 0 HA THR A 27 2.865 4.094 -4.334 1.00 0.35 H new ATOM 0 HB THR A 27 2.139 4.135 -6.785 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.218 2.132 -7.089 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.336 3.436 -7.652 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.487 4.381 -6.151 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.677 2.612 -6.112 1.00 0.51 H new ATOM 416 N TYR A 28 0.425 4.755 -4.544 1.00 0.39 N ATOM 417 CA TYR A 28 -0.977 5.099 -4.394 1.00 0.45 C ATOM 418 C TYR A 28 -1.278 6.368 -5.178 1.00 0.48 C ATOM 419 O TYR A 28 -0.363 7.104 -5.549 1.00 0.68 O ATOM 420 CB TYR A 28 -1.353 5.270 -2.917 1.00 0.48 C ATOM 421 CG TYR A 28 -0.475 6.232 -2.144 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.684 5.794 -1.513 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.797 7.582 -2.058 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.492 6.671 -0.815 1.00 0.60 C ATOM 425 CE2 TYR A 28 0.008 8.464 -1.365 1.00 0.66 C ATOM 426 CZ TYR A 28 1.128 7.995 -0.706 1.00 0.65 C ATOM 427 OH TYR A 28 1.954 8.882 -0.053 1.00 0.76 O ATOM 0 H TYR A 28 1.055 5.557 -4.568 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.580 4.282 -4.791 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.385 5.615 -2.857 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.314 4.295 -2.432 1.00 0.48 H new ATOM 0 HD1 TYR A 28 0.957 4.751 -1.569 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.691 7.947 -2.541 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.405 6.320 -0.357 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.237 9.516 -1.338 1.00 0.66 H new ATOM 0 HH TYR A 28 2.414 8.422 0.680 1.00 0.76 H new ATOM 437 N ARG A 29 -2.549 6.606 -5.455 1.00 0.42 N ATOM 438 CA ARG A 29 -2.956 7.787 -6.198 1.00 0.48 C ATOM 439 C ARG A 29 -4.327 8.254 -5.737 1.00 0.48 C ATOM 440 O ARG A 29 -5.107 7.473 -5.193 1.00 0.49 O ATOM 441 CB ARG A 29 -2.989 7.489 -7.698 1.00 0.56 C ATOM 442 CG ARG A 29 -2.526 8.650 -8.561 1.00 0.93 C ATOM 443 CD ARG A 29 -1.196 8.354 -9.237 1.00 1.22 C ATOM 444 NE ARG A 29 -0.154 7.996 -8.277 1.00 1.83 N ATOM 445 CZ ARG A 29 1.085 8.493 -8.293 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.427 9.406 -9.191 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.976 8.077 -7.401 1.00 3.63 N ATOM 0 H ARG A 29 -3.318 5.996 -5.176 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.229 8.578 -6.010 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.359 6.623 -7.901 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.006 7.218 -7.983 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.280 8.863 -9.319 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.430 9.545 -7.946 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.326 7.539 -9.949 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -0.878 9.227 -9.806 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.388 7.323 -7.547 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.742 9.732 -9.873 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.375 9.783 -9.200 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.713 7.379 -6.705 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.923 8.455 -7.412 1.00 3.63 H new ATOM 461 N PHE A 30 -4.613 9.525 -5.960 1.00 0.56 N ATOM 462 CA PHE A 30 -5.893 10.098 -5.574 1.00 0.60 C ATOM 463 C PHE A 30 -6.893 9.917 -6.706 1.00 0.68 C ATOM 464 O PHE A 30 -6.664 10.384 -7.820 1.00 0.83 O ATOM 465 CB PHE A 30 -5.744 11.582 -5.236 1.00 0.66 C ATOM 466 CG PHE A 30 -5.099 11.837 -3.905 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.721 11.891 -3.793 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.867 12.024 -2.769 1.00 0.72 C ATOM 469 CE1 PHE A 30 -3.119 12.124 -2.573 1.00 0.77 C ATOM 470 CE2 PHE A 30 -5.272 12.258 -1.545 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.913 12.307 -1.439 1.00 0.82 C ATOM 0 H PHE A 30 -3.975 10.183 -6.408 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.254 9.582 -4.684 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.153 12.065 -6.014 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.729 12.049 -5.248 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.109 11.749 -4.671 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.944 11.986 -2.841 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -2.043 12.164 -2.496 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.885 12.403 -0.668 1.00 0.80 H new ATOM 0 HZ PHE A 30 -3.452 12.487 -0.479 1.00 0.82 H new ATOM 481 N VAL A 31 -7.985 9.223 -6.425 1.00 0.62 N ATOM 482 CA VAL A 31 -9.005 8.980 -7.439 1.00 0.70 C ATOM 483 C VAL A 31 -10.064 10.079 -7.447 1.00 0.73 C ATOM 484 O VAL A 31 -10.531 10.490 -8.512 1.00 0.83 O ATOM 485 CB VAL A 31 -9.690 7.608 -7.250 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.760 6.483 -7.678 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.135 7.415 -5.808 1.00 0.67 C ATOM 0 H VAL A 31 -8.189 8.820 -5.511 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.488 8.982 -8.398 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.577 7.583 -7.883 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.260 5.525 -7.538 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.500 6.606 -8.729 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.853 6.511 -7.074 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.614 6.442 -5.702 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.268 7.466 -5.150 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.842 8.199 -5.538 1.00 0.67 H new ATOM 497 N ASP A 32 -10.428 10.569 -6.270 1.00 0.72 N ATOM 498 CA ASP A 32 -11.440 11.610 -6.174 1.00 0.84 C ATOM 499 C ASP A 32 -10.986 12.748 -5.267 1.00 0.97 C ATOM 500 O ASP A 32 -10.502 13.774 -5.747 1.00 1.74 O ATOM 501 CB ASP A 32 -12.761 11.029 -5.665 1.00 0.84 C ATOM 502 CG ASP A 32 -13.901 12.032 -5.725 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.016 12.861 -4.799 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.684 12.000 -6.699 1.00 1.16 O ATOM 0 H ASP A 32 -10.041 10.265 -5.376 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.591 12.015 -7.175 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -13.021 10.153 -6.259 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.633 10.691 -4.637 1.00 0.84 H new ATOM 509 N ASN A 33 -11.128 12.564 -3.958 1.00 0.89 N ATOM 510 CA ASN A 33 -10.751 13.601 -3.008 1.00 0.95 C ATOM 511 C ASN A 33 -9.767 13.090 -1.967 1.00 0.84 C ATOM 512 O ASN A 33 -8.567 13.333 -2.065 1.00 1.07 O ATOM 513 CB ASN A 33 -11.995 14.154 -2.314 1.00 1.09 C ATOM 514 CG ASN A 33 -12.409 15.499 -2.866 1.00 1.82 C ATOM 515 OD1 ASN A 33 -12.053 16.544 -2.321 1.00 2.09 O ATOM 516 ND2 ASN A 33 -13.163 15.482 -3.951 1.00 2.72 N ATOM 0 H ASN A 33 -11.498 11.713 -3.535 1.00 0.89 H new ATOM 0 HA ASN A 33 -10.258 14.394 -3.570 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.817 13.448 -2.429 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.802 14.246 -1.245 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.474 16.359 -4.370 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.434 14.592 -4.370 1.00 2.72 H new ATOM 523 N ASN A 34 -10.278 12.377 -0.976 1.00 0.73 N ATOM 524 CA ASN A 34 -9.445 11.858 0.098 1.00 0.86 C ATOM 525 C ASN A 34 -9.239 10.359 -0.055 1.00 0.88 C ATOM 526 O ASN A 34 -8.622 9.715 0.790 1.00 1.22 O ATOM 527 CB ASN A 34 -10.079 12.166 1.456 1.00 1.01 C ATOM 528 CG ASN A 34 -10.030 13.645 1.799 1.00 1.35 C ATOM 529 OD1 ASN A 34 -9.063 14.340 1.476 1.00 1.84 O ATOM 530 ND2 ASN A 34 -11.071 14.140 2.449 1.00 1.83 N ATOM 0 H ASN A 34 -11.268 12.144 -0.893 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.472 12.347 0.042 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.116 11.831 1.453 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.563 11.599 2.231 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -11.092 15.128 2.700 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.852 13.533 2.699 1.00 1.83 H new ATOM 537 N GLU A 35 -9.773 9.810 -1.131 1.00 0.64 N ATOM 538 CA GLU A 35 -9.651 8.391 -1.404 1.00 0.62 C ATOM 539 C GLU A 35 -8.354 8.096 -2.151 1.00 0.57 C ATOM 540 O GLU A 35 -8.139 8.590 -3.263 1.00 0.59 O ATOM 541 CB GLU A 35 -10.849 7.902 -2.220 1.00 0.68 C ATOM 542 CG GLU A 35 -12.194 8.250 -1.605 1.00 1.01 C ATOM 543 CD GLU A 35 -12.801 9.517 -2.177 1.00 1.41 C ATOM 544 OE1 GLU A 35 -12.068 10.516 -2.315 1.00 2.25 O ATOM 545 OE2 GLU A 35 -14.006 9.518 -2.507 1.00 1.47 O ATOM 0 H GLU A 35 -10.299 10.330 -1.834 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.632 7.860 -0.452 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.795 8.332 -3.220 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.781 6.820 -2.334 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.884 7.421 -1.762 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -12.075 8.366 -0.528 1.00 1.01 H new ATOM 552 N ILE A 36 -7.494 7.299 -1.534 1.00 0.52 N ATOM 553 CA ILE A 36 -6.221 6.928 -2.136 1.00 0.48 C ATOM 554 C ILE A 36 -6.244 5.469 -2.577 1.00 0.46 C ATOM 555 O ILE A 36 -6.494 4.565 -1.774 1.00 0.53 O ATOM 556 CB ILE A 36 -5.033 7.163 -1.178 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.404 6.779 0.259 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.587 8.614 -1.250 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.245 6.854 1.229 1.00 0.51 C ATOM 0 H ILE A 36 -7.656 6.895 -0.612 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.081 7.570 -3.005 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.205 6.526 -1.489 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.200 7.437 0.607 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.804 5.765 0.263 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.749 8.771 -0.571 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.278 8.850 -2.268 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.414 9.263 -0.962 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.585 6.568 2.225 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.456 6.175 0.906 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.858 7.873 1.256 1.00 0.51 H new ATOM 571 N ASN A 37 -5.985 5.249 -3.855 1.00 0.44 N ATOM 572 CA ASN A 37 -5.992 3.909 -4.421 1.00 0.46 C ATOM 573 C ASN A 37 -4.588 3.324 -4.522 1.00 0.42 C ATOM 574 O ASN A 37 -3.682 3.946 -5.074 1.00 0.50 O ATOM 575 CB ASN A 37 -6.631 3.923 -5.813 1.00 0.54 C ATOM 576 CG ASN A 37 -6.414 2.622 -6.572 1.00 0.86 C ATOM 577 OD1 ASN A 37 -6.535 1.530 -6.014 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.083 2.728 -7.848 1.00 0.98 N ATOM 0 H ASN A 37 -5.766 5.986 -4.525 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.576 3.281 -3.748 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.701 4.108 -5.715 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.216 4.749 -6.390 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.919 1.889 -8.404 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.992 3.649 -8.276 1.00 0.98 H new ATOM 585 N ILE A 38 -4.425 2.129 -3.976 1.00 0.36 N ATOM 586 CA ILE A 38 -3.160 1.415 -4.036 1.00 0.33 C ATOM 587 C ILE A 38 -3.285 0.336 -5.102 1.00 0.41 C ATOM 588 O ILE A 38 -3.972 -0.669 -4.898 1.00 0.53 O ATOM 589 CB ILE A 38 -2.795 0.771 -2.685 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.694 1.837 -1.593 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.484 0.005 -2.801 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.733 1.271 -0.192 1.00 0.69 C ATOM 0 H ILE A 38 -5.163 1.629 -3.481 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.366 2.121 -4.278 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.584 0.071 -2.411 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.767 2.395 -1.725 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.513 2.547 -1.712 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.239 -0.445 -1.839 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.586 -0.778 -3.552 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.688 0.689 -3.095 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.657 2.083 0.531 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.672 0.738 -0.041 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.899 0.583 -0.054 1.00 0.69 H new ATOM 604 N ASP A 39 -2.647 0.551 -6.241 1.00 0.52 N ATOM 605 CA ASP A 39 -2.742 -0.393 -7.347 1.00 0.73 C ATOM 606 C ASP A 39 -1.484 -1.237 -7.507 1.00 0.50 C ATOM 607 O ASP A 39 -1.561 -2.410 -7.879 1.00 0.64 O ATOM 608 CB ASP A 39 -3.017 0.355 -8.651 1.00 1.08 C ATOM 609 CG ASP A 39 -4.244 -0.158 -9.371 1.00 1.73 C ATOM 610 OD1 ASP A 39 -4.193 -1.282 -9.908 1.00 2.16 O ATOM 611 OD2 ASP A 39 -5.270 0.552 -9.391 1.00 2.47 O ATOM 0 H ASP A 39 -2.061 1.365 -6.425 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.566 -1.069 -7.116 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -3.144 1.416 -8.436 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -2.151 0.264 -9.307 1.00 1.08 H new ATOM 616 N HIS A 40 -0.329 -0.652 -7.227 1.00 0.37 N ATOM 617 CA HIS A 40 0.931 -1.368 -7.378 1.00 0.44 C ATOM 618 C HIS A 40 1.637 -1.570 -6.038 1.00 0.39 C ATOM 619 O HIS A 40 1.714 -0.660 -5.209 1.00 0.42 O ATOM 620 CB HIS A 40 1.839 -0.626 -8.381 1.00 0.72 C ATOM 621 CG HIS A 40 3.320 -0.850 -8.203 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.984 -1.969 -8.662 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.264 -0.075 -7.615 1.00 0.92 C ATOM 624 CE1 HIS A 40 5.268 -1.869 -8.360 1.00 2.12 C ATOM 625 NE2 HIS A 40 5.463 -0.729 -7.726 1.00 1.64 N ATOM 0 H HIS A 40 -0.237 0.309 -6.897 1.00 0.37 H new ATOM 0 HA HIS A 40 0.711 -2.361 -7.769 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.562 -0.931 -9.390 1.00 0.72 H new ATOM 0 HB3 HIS A 40 1.639 0.443 -8.304 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.101 0.883 -7.145 1.00 0.92 H new ATOM 0 HE1 HIS A 40 6.029 -2.599 -8.593 1.00 2.12 H new ATOM 0 HE2 HIS A 40 6.359 -0.390 -7.376 1.00 1.64 H new ATOM 634 N THR A 41 2.128 -2.785 -5.838 1.00 0.41 N ATOM 635 CA THR A 41 2.858 -3.156 -4.634 1.00 0.45 C ATOM 636 C THR A 41 3.866 -4.248 -4.975 1.00 0.54 C ATOM 637 O THR A 41 3.488 -5.374 -5.290 1.00 0.73 O ATOM 638 CB THR A 41 1.912 -3.664 -3.525 1.00 0.48 C ATOM 639 OG1 THR A 41 0.721 -2.866 -3.494 1.00 0.48 O ATOM 640 CG2 THR A 41 2.593 -3.619 -2.163 1.00 0.55 C ATOM 0 H THR A 41 2.030 -3.546 -6.511 1.00 0.41 H new ATOM 0 HA THR A 41 3.367 -2.268 -4.261 1.00 0.45 H new ATOM 0 HB THR A 41 1.653 -4.699 -3.748 1.00 0.48 H new ATOM 0 HG1 THR A 41 -0.037 -3.397 -3.816 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.905 -3.982 -1.400 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.482 -4.250 -2.180 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.880 -2.593 -1.934 1.00 0.55 H new ATOM 648 N GLY A 42 5.145 -3.911 -4.925 1.00 0.55 N ATOM 649 CA GLY A 42 6.176 -4.874 -5.252 1.00 0.66 C ATOM 650 C GLY A 42 7.132 -5.097 -4.107 1.00 0.64 C ATOM 651 O GLY A 42 7.676 -4.142 -3.555 1.00 0.70 O ATOM 0 H GLY A 42 5.488 -2.987 -4.664 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.712 -5.822 -5.525 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.731 -4.528 -6.124 1.00 0.66 H new ATOM 655 N VAL A 43 7.320 -6.359 -3.739 1.00 0.67 N ATOM 656 CA VAL A 43 8.218 -6.722 -2.649 1.00 0.71 C ATOM 657 C VAL A 43 9.070 -7.922 -3.052 1.00 0.74 C ATOM 658 O VAL A 43 8.555 -8.892 -3.607 1.00 0.82 O ATOM 659 CB VAL A 43 7.441 -7.078 -1.356 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.396 -7.368 -0.208 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.472 -5.972 -0.972 1.00 0.80 C ATOM 0 H VAL A 43 6.859 -7.153 -4.183 1.00 0.67 H new ATOM 0 HA VAL A 43 8.849 -5.856 -2.449 1.00 0.71 H new ATOM 0 HB VAL A 43 6.863 -7.980 -1.560 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.825 -7.615 0.687 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.038 -8.208 -0.472 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.011 -6.489 -0.015 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.943 -6.252 -0.061 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.024 -5.048 -0.801 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.753 -5.822 -1.778 1.00 0.80 H new ATOM 671 N SER A 44 10.365 -7.855 -2.779 1.00 0.82 N ATOM 672 CA SER A 44 11.260 -8.955 -3.106 1.00 0.90 C ATOM 673 C SER A 44 11.083 -10.083 -2.094 1.00 1.01 C ATOM 674 O SER A 44 11.574 -10.012 -0.963 1.00 1.32 O ATOM 675 CB SER A 44 12.708 -8.492 -3.103 1.00 1.27 C ATOM 676 OG SER A 44 12.824 -7.154 -3.562 1.00 1.83 O ATOM 0 H SER A 44 10.817 -7.056 -2.335 1.00 0.82 H new ATOM 0 HA SER A 44 11.012 -9.315 -4.104 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.114 -8.569 -2.094 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.303 -9.149 -3.737 1.00 1.27 H new ATOM 0 HG SER A 44 13.766 -6.884 -3.547 1.00 1.83 H new ATOM 682 N ASP A 45 10.388 -11.123 -2.512 1.00 1.10 N ATOM 683 CA ASP A 45 10.113 -12.265 -1.647 1.00 1.45 C ATOM 684 C ASP A 45 11.298 -13.223 -1.598 1.00 1.27 C ATOM 685 O ASP A 45 11.514 -13.898 -0.591 1.00 1.73 O ATOM 686 CB ASP A 45 8.846 -13.002 -2.105 1.00 2.05 C ATOM 687 CG ASP A 45 9.055 -13.824 -3.363 1.00 2.57 C ATOM 688 OD1 ASP A 45 9.000 -13.251 -4.470 1.00 3.12 O ATOM 689 OD2 ASP A 45 9.285 -15.047 -3.250 1.00 2.90 O ATOM 0 H ASP A 45 9.999 -11.205 -3.451 1.00 1.10 H new ATOM 0 HA ASP A 45 9.948 -11.883 -0.639 1.00 1.45 H new ATOM 0 HB2 ASP A 45 8.504 -13.657 -1.303 1.00 2.05 H new ATOM 0 HB3 ASP A 45 8.054 -12.274 -2.282 1.00 2.05 H new ATOM 694 N GLU A 46 12.079 -13.266 -2.674 1.00 1.36 N ATOM 695 CA GLU A 46 13.241 -14.149 -2.731 1.00 1.66 C ATOM 696 C GLU A 46 14.359 -13.596 -1.859 1.00 1.96 C ATOM 697 O GLU A 46 15.014 -14.332 -1.122 1.00 2.52 O ATOM 698 CB GLU A 46 13.742 -14.340 -4.170 1.00 2.19 C ATOM 699 CG GLU A 46 12.832 -13.752 -5.235 1.00 2.65 C ATOM 700 CD GLU A 46 13.042 -12.266 -5.419 1.00 3.34 C ATOM 701 OE1 GLU A 46 13.953 -11.883 -6.181 1.00 3.80 O ATOM 702 OE2 GLU A 46 12.295 -11.474 -4.812 1.00 3.79 O ATOM 0 H GLU A 46 11.931 -12.705 -3.512 1.00 1.36 H new ATOM 0 HA GLU A 46 12.934 -15.125 -2.355 1.00 1.66 H new ATOM 0 HB2 GLU A 46 14.729 -13.886 -4.261 1.00 2.19 H new ATOM 0 HB3 GLU A 46 13.863 -15.406 -4.361 1.00 2.19 H new ATOM 0 HG2 GLU A 46 13.010 -14.261 -6.182 1.00 2.65 H new ATOM 0 HG3 GLU A 46 11.793 -13.938 -4.964 1.00 2.65 H new ATOM 709 N LEU A 47 14.559 -12.288 -1.944 1.00 2.08 N ATOM 710 CA LEU A 47 15.578 -11.615 -1.153 1.00 2.74 C ATOM 711 C LEU A 47 15.231 -11.692 0.332 1.00 2.84 C ATOM 712 O LEU A 47 16.105 -11.880 1.180 1.00 3.61 O ATOM 713 CB LEU A 47 15.706 -10.155 -1.601 1.00 3.16 C ATOM 714 CG LEU A 47 16.362 -9.211 -0.592 1.00 3.70 C ATOM 715 CD1 LEU A 47 17.434 -8.377 -1.267 1.00 4.35 C ATOM 716 CD2 LEU A 47 15.315 -8.315 0.057 1.00 4.47 C ATOM 0 H LEU A 47 14.026 -11.670 -2.556 1.00 2.08 H new ATOM 0 HA LEU A 47 16.535 -12.113 -1.308 1.00 2.74 H new ATOM 0 HB2 LEU A 47 16.282 -10.126 -2.526 1.00 3.16 H new ATOM 0 HB3 LEU A 47 14.711 -9.776 -1.833 1.00 3.16 H new ATOM 0 HG LEU A 47 16.833 -9.810 0.188 1.00 3.70 H new ATOM 0 HD11 LEU A 47 17.891 -7.711 -0.535 1.00 4.35 H new ATOM 0 HD12 LEU A 47 18.196 -9.034 -1.685 1.00 4.35 H new ATOM 0 HD13 LEU A 47 16.986 -7.786 -2.066 1.00 4.35 H new ATOM 0 HD21 LEU A 47 15.798 -7.650 0.772 1.00 4.47 H new ATOM 0 HD22 LEU A 47 14.817 -7.723 -0.710 1.00 4.47 H new ATOM 0 HD23 LEU A 47 14.579 -8.931 0.574 1.00 4.47 H new ATOM 728 N GLY A 48 13.949 -11.553 0.636 1.00 2.46 N ATOM 729 CA GLY A 48 13.509 -11.613 2.012 1.00 3.19 C ATOM 730 C GLY A 48 13.026 -10.275 2.527 1.00 3.20 C ATOM 731 O GLY A 48 13.400 -9.851 3.621 1.00 3.86 O ATOM 0 H GLY A 48 13.207 -11.400 -0.046 1.00 2.46 H new ATOM 0 HA2 GLY A 48 12.705 -12.344 2.101 1.00 3.19 H new ATOM 0 HA3 GLY A 48 14.330 -11.964 2.637 1.00 3.19 H new ATOM 735 N GLY A 49 12.194 -9.602 1.739 1.00 2.85 N ATOM 736 CA GLY A 49 11.661 -8.313 2.140 1.00 3.05 C ATOM 737 C GLY A 49 10.472 -8.452 3.070 1.00 2.17 C ATOM 738 O GLY A 49 9.442 -7.802 2.886 1.00 2.73 O ATOM 0 H GLY A 49 11.878 -9.928 0.826 1.00 2.85 H new ATOM 0 HA2 GLY A 49 12.442 -7.736 2.635 1.00 3.05 H new ATOM 0 HA3 GLY A 49 11.364 -7.752 1.254 1.00 3.05 H new ATOM 742 N GLN A 50 10.618 -9.299 4.076 1.00 1.42 N ATOM 743 CA GLN A 50 9.552 -9.533 5.036 1.00 1.52 C ATOM 744 C GLN A 50 9.512 -8.406 6.056 1.00 1.37 C ATOM 745 O GLN A 50 10.552 -7.975 6.566 1.00 2.20 O ATOM 746 CB GLN A 50 9.743 -10.883 5.735 1.00 2.43 C ATOM 747 CG GLN A 50 9.238 -12.081 4.932 1.00 2.96 C ATOM 748 CD GLN A 50 9.930 -12.227 3.588 1.00 3.04 C ATOM 749 OE1 GLN A 50 11.011 -12.800 3.491 1.00 3.39 O ATOM 750 NE2 GLN A 50 9.305 -11.715 2.540 1.00 3.44 N ATOM 0 H GLN A 50 11.467 -9.837 4.249 1.00 1.42 H new ATOM 0 HA GLN A 50 8.602 -9.557 4.503 1.00 1.52 H new ATOM 0 HB2 GLN A 50 10.803 -11.023 5.947 1.00 2.43 H new ATOM 0 HB3 GLN A 50 9.226 -10.859 6.694 1.00 2.43 H new ATOM 0 HG2 GLN A 50 9.389 -12.991 5.513 1.00 2.96 H new ATOM 0 HG3 GLN A 50 8.165 -11.979 4.773 1.00 2.96 H new ATOM 0 HE21 GLN A 50 8.407 -11.246 2.661 1.00 3.44 H new ATOM 0 HE22 GLN A 50 9.721 -11.790 1.612 1.00 3.44 H new ATOM 759 N GLY A 51 8.312 -7.916 6.331 1.00 1.01 N ATOM 760 CA GLY A 51 8.144 -6.832 7.275 1.00 1.11 C ATOM 761 C GLY A 51 8.264 -5.477 6.611 1.00 0.88 C ATOM 762 O GLY A 51 7.626 -4.511 7.030 1.00 0.86 O ATOM 0 H GLY A 51 7.445 -8.254 5.913 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.168 -6.916 7.753 1.00 1.11 H new ATOM 0 HA3 GLY A 51 8.893 -6.917 8.062 1.00 1.11 H new ATOM 766 N VAL A 52 9.071 -5.416 5.559 1.00 0.80 N ATOM 767 CA VAL A 52 9.294 -4.181 4.822 1.00 0.68 C ATOM 768 C VAL A 52 7.994 -3.685 4.201 1.00 0.58 C ATOM 769 O VAL A 52 7.610 -2.529 4.381 1.00 0.56 O ATOM 770 CB VAL A 52 10.351 -4.367 3.713 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.833 -3.021 3.198 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.524 -5.199 4.220 1.00 1.14 C ATOM 0 H VAL A 52 9.586 -6.217 5.195 1.00 0.80 H new ATOM 0 HA VAL A 52 9.663 -3.442 5.533 1.00 0.68 H new ATOM 0 HB VAL A 52 9.885 -4.902 2.886 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.578 -3.176 2.417 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.989 -2.464 2.790 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.278 -2.456 4.017 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.257 -5.318 3.422 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.988 -4.695 5.068 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.166 -6.180 4.533 1.00 1.14 H new ATOM 782 N GLY A 53 7.310 -4.577 3.492 1.00 0.59 N ATOM 783 CA GLY A 53 6.054 -4.221 2.859 1.00 0.58 C ATOM 784 C GLY A 53 4.995 -3.825 3.870 1.00 0.51 C ATOM 785 O GLY A 53 4.163 -2.957 3.605 1.00 0.50 O ATOM 0 H GLY A 53 7.604 -5.542 3.344 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.219 -3.396 2.166 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.694 -5.064 2.270 1.00 0.58 H new ATOM 789 N LYS A 54 5.036 -4.457 5.037 1.00 0.52 N ATOM 790 CA LYS A 54 4.079 -4.170 6.096 1.00 0.50 C ATOM 791 C LYS A 54 4.349 -2.793 6.687 1.00 0.48 C ATOM 792 O LYS A 54 3.420 -2.036 6.972 1.00 0.48 O ATOM 793 CB LYS A 54 4.153 -5.232 7.196 1.00 0.59 C ATOM 794 CG LYS A 54 3.869 -6.643 6.706 1.00 0.75 C ATOM 795 CD LYS A 54 3.759 -7.625 7.862 1.00 1.08 C ATOM 796 CE LYS A 54 2.383 -7.574 8.506 1.00 1.49 C ATOM 797 NZ LYS A 54 2.375 -8.189 9.860 1.00 2.02 N ATOM 0 H LYS A 54 5.723 -5.173 5.273 1.00 0.52 H new ATOM 0 HA LYS A 54 3.078 -4.185 5.666 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.145 -5.207 7.647 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.440 -4.979 7.981 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.942 -6.650 6.132 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.664 -6.962 6.031 1.00 0.75 H new ATOM 0 HD2 LYS A 54 3.957 -8.635 7.503 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.520 -7.397 8.608 1.00 1.08 H new ATOM 0 HE2 LYS A 54 2.055 -6.537 8.578 1.00 1.49 H new ATOM 0 HE3 LYS A 54 1.666 -8.092 7.869 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 1.658 -8.942 9.895 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 3.312 -8.593 10.063 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 2.150 -7.463 10.570 1.00 2.02 H new ATOM 811 N LYS A 55 5.626 -2.474 6.860 1.00 0.51 N ATOM 812 CA LYS A 55 6.023 -1.185 7.407 1.00 0.54 C ATOM 813 C LYS A 55 5.668 -0.076 6.424 1.00 0.47 C ATOM 814 O LYS A 55 5.300 1.030 6.821 1.00 0.48 O ATOM 815 CB LYS A 55 7.523 -1.172 7.713 1.00 0.65 C ATOM 816 CG LYS A 55 7.910 -0.209 8.826 1.00 1.28 C ATOM 817 CD LYS A 55 9.338 -0.439 9.300 1.00 1.72 C ATOM 818 CE LYS A 55 10.357 0.058 8.286 1.00 2.30 C ATOM 819 NZ LYS A 55 11.748 -0.272 8.694 1.00 2.57 N ATOM 0 H LYS A 55 6.404 -3.092 6.629 1.00 0.51 H new ATOM 0 HA LYS A 55 5.485 -1.015 8.339 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.838 -2.178 7.989 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.068 -0.905 6.807 1.00 0.65 H new ATOM 0 HG2 LYS A 55 7.805 0.817 8.472 1.00 1.28 H new ATOM 0 HG3 LYS A 55 7.225 -0.329 9.665 1.00 1.28 H new ATOM 0 HD2 LYS A 55 9.492 0.072 10.250 1.00 1.72 H new ATOM 0 HD3 LYS A 55 9.494 -1.503 9.481 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.148 -0.387 7.313 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.258 1.137 8.171 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.401 -0.040 7.919 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.002 0.280 9.538 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 11.815 -1.287 8.911 1.00 2.57 H new ATOM 833 N LEU A 56 5.782 -0.386 5.138 1.00 0.46 N ATOM 834 CA LEU A 56 5.444 0.565 4.088 1.00 0.45 C ATOM 835 C LEU A 56 3.958 0.878 4.135 1.00 0.38 C ATOM 836 O LEU A 56 3.555 2.040 4.095 1.00 0.37 O ATOM 837 CB LEU A 56 5.803 0.005 2.714 1.00 0.54 C ATOM 838 CG LEU A 56 7.280 0.076 2.342 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.506 -0.528 0.971 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.773 1.508 2.379 1.00 0.85 C ATOM 0 H LEU A 56 6.107 -1.291 4.798 1.00 0.46 H new ATOM 0 HA LEU A 56 6.017 1.477 4.254 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.485 -1.037 2.671 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.230 0.545 1.960 1.00 0.54 H new ATOM 0 HG LEU A 56 7.848 -0.499 3.074 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.565 -0.471 0.718 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.190 -1.571 0.976 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.926 0.023 0.231 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.829 1.536 2.110 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.202 2.108 1.670 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.643 1.912 3.383 1.00 0.85 H new ATOM 852 N LEU A 57 3.150 -0.175 4.220 1.00 0.37 N ATOM 853 CA LEU A 57 1.704 -0.025 4.292 1.00 0.36 C ATOM 854 C LEU A 57 1.318 0.699 5.577 1.00 0.34 C ATOM 855 O LEU A 57 0.361 1.470 5.607 1.00 0.37 O ATOM 856 CB LEU A 57 1.020 -1.394 4.223 1.00 0.43 C ATOM 857 CG LEU A 57 -0.509 -1.361 4.245 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.051 -0.597 3.045 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.067 -2.772 4.269 1.00 0.71 C ATOM 0 H LEU A 57 3.475 -1.142 4.241 1.00 0.37 H new ATOM 0 HA LEU A 57 1.370 0.568 3.441 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.343 -1.898 3.312 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.366 -1.998 5.062 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.826 -0.844 5.150 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.140 -0.587 3.082 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.678 0.427 3.067 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.724 -1.083 2.126 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.156 -2.732 4.285 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.736 -3.309 3.380 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.710 -3.289 5.160 1.00 0.71 H new ATOM 871 N LYS A 58 2.083 0.449 6.635 1.00 0.36 N ATOM 872 CA LYS A 58 1.849 1.089 7.920 1.00 0.42 C ATOM 873 C LYS A 58 1.967 2.601 7.774 1.00 0.41 C ATOM 874 O LYS A 58 1.148 3.347 8.308 1.00 0.44 O ATOM 875 CB LYS A 58 2.847 0.573 8.961 1.00 0.50 C ATOM 876 CG LYS A 58 2.813 1.336 10.276 1.00 0.74 C ATOM 877 CD LYS A 58 3.802 0.763 11.273 1.00 1.10 C ATOM 878 CE LYS A 58 3.970 1.674 12.477 1.00 1.13 C ATOM 879 NZ LYS A 58 2.672 1.999 13.124 1.00 1.39 N ATOM 0 H LYS A 58 2.873 -0.196 6.625 1.00 0.36 H new ATOM 0 HA LYS A 58 0.842 0.845 8.259 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.641 -0.479 9.157 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.853 0.629 8.545 1.00 0.50 H new ATOM 0 HG2 LYS A 58 3.043 2.386 10.095 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.808 1.297 10.695 1.00 0.74 H new ATOM 0 HD2 LYS A 58 3.461 -0.218 11.603 1.00 1.10 H new ATOM 0 HD3 LYS A 58 4.767 0.618 10.788 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.626 1.195 13.204 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.460 2.597 12.166 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 2.846 2.416 14.061 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 2.150 2.678 12.534 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 2.110 1.130 13.231 1.00 1.39 H new ATOM 893 N ALA A 59 2.978 3.042 7.031 1.00 0.43 N ATOM 894 CA ALA A 59 3.192 4.464 6.793 1.00 0.48 C ATOM 895 C ALA A 59 2.002 5.055 6.052 1.00 0.44 C ATOM 896 O ALA A 59 1.565 6.168 6.344 1.00 0.47 O ATOM 897 CB ALA A 59 4.475 4.690 6.010 1.00 0.56 C ATOM 0 H ALA A 59 3.663 2.433 6.583 1.00 0.43 H new ATOM 0 HA ALA A 59 3.289 4.967 7.755 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.616 5.758 5.843 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.320 4.296 6.575 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.410 4.178 5.050 1.00 0.56 H new ATOM 903 N VAL A 60 1.472 4.292 5.100 1.00 0.39 N ATOM 904 CA VAL A 60 0.313 4.725 4.328 1.00 0.38 C ATOM 905 C VAL A 60 -0.891 4.887 5.251 1.00 0.37 C ATOM 906 O VAL A 60 -1.574 5.907 5.224 1.00 0.40 O ATOM 907 CB VAL A 60 -0.038 3.721 3.207 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.200 4.232 2.367 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.170 3.449 2.327 1.00 0.41 C ATOM 0 H VAL A 60 1.827 3.371 4.845 1.00 0.39 H new ATOM 0 HA VAL A 60 0.564 5.679 3.864 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.339 2.785 3.678 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.429 3.509 1.584 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.075 4.369 3.002 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.929 5.185 1.912 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.898 2.740 1.545 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.505 4.381 1.871 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.975 3.031 2.932 1.00 0.41 H new ATOM 919 N VAL A 61 -1.123 3.877 6.084 1.00 0.36 N ATOM 920 CA VAL A 61 -2.234 3.890 7.031 1.00 0.40 C ATOM 921 C VAL A 61 -2.065 5.024 8.044 1.00 0.44 C ATOM 922 O VAL A 61 -3.025 5.721 8.386 1.00 0.49 O ATOM 923 CB VAL A 61 -2.343 2.537 7.769 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.436 2.574 8.824 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.601 1.404 6.782 1.00 0.43 C ATOM 0 H VAL A 61 -0.552 3.033 6.122 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.153 4.054 6.468 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.392 2.355 8.270 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.489 1.608 9.327 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.211 3.351 9.554 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.393 2.789 8.349 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.674 0.460 7.322 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.534 1.591 6.250 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.780 1.350 6.067 1.00 0.43 H new ATOM 935 N GLU A 62 -0.838 5.214 8.505 1.00 0.47 N ATOM 936 CA GLU A 62 -0.535 6.263 9.464 1.00 0.54 C ATOM 937 C GLU A 62 -0.815 7.630 8.853 1.00 0.55 C ATOM 938 O GLU A 62 -1.543 8.441 9.424 1.00 0.61 O ATOM 939 CB GLU A 62 0.930 6.181 9.896 1.00 0.61 C ATOM 940 CG GLU A 62 1.142 6.417 11.381 1.00 1.05 C ATOM 941 CD GLU A 62 0.702 5.238 12.221 1.00 1.17 C ATOM 942 OE1 GLU A 62 -0.488 5.180 12.600 1.00 1.76 O ATOM 943 OE2 GLU A 62 1.544 4.360 12.506 1.00 1.53 O ATOM 0 H GLU A 62 -0.033 4.652 8.228 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.170 6.126 10.339 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.323 5.199 9.633 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.507 6.916 9.334 1.00 0.61 H new ATOM 0 HG2 GLU A 62 2.197 6.619 11.567 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.589 7.305 11.688 1.00 1.05 H new ATOM 950 N HIS A 63 -0.256 7.861 7.672 1.00 0.54 N ATOM 951 CA HIS A 63 -0.425 9.125 6.967 1.00 0.61 C ATOM 952 C HIS A 63 -1.883 9.347 6.575 1.00 0.61 C ATOM 953 O HIS A 63 -2.349 10.490 6.489 1.00 0.69 O ATOM 954 CB HIS A 63 0.464 9.148 5.725 1.00 0.67 C ATOM 955 CG HIS A 63 0.720 10.521 5.195 1.00 0.78 C ATOM 956 ND1 HIS A 63 1.283 11.529 5.948 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.491 11.052 3.972 1.00 0.97 C ATOM 958 CE1 HIS A 63 1.388 12.618 5.210 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.913 12.353 4.009 1.00 1.04 N ATOM 0 H HIS A 63 0.324 7.182 7.178 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.131 9.933 7.637 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.417 8.676 5.963 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.003 8.548 4.944 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.573 11.446 6.922 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.056 10.544 3.124 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.794 13.565 5.535 1.00 0.97 H new ATOM 968 N ALA A 64 -2.593 8.252 6.333 1.00 0.56 N ATOM 969 CA ALA A 64 -3.999 8.318 5.963 1.00 0.62 C ATOM 970 C ALA A 64 -4.817 8.896 7.104 1.00 0.70 C ATOM 971 O ALA A 64 -5.632 9.788 6.896 1.00 0.85 O ATOM 972 CB ALA A 64 -4.526 6.943 5.579 1.00 0.61 C ATOM 0 H ALA A 64 -2.216 7.306 6.387 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.092 8.972 5.096 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.579 7.020 5.307 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.959 6.560 4.731 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.418 6.263 6.424 1.00 0.61 H new ATOM 978 N ARG A 65 -4.579 8.398 8.313 1.00 0.69 N ATOM 979 CA ARG A 65 -5.298 8.871 9.489 1.00 0.82 C ATOM 980 C ARG A 65 -4.998 10.344 9.755 1.00 0.85 C ATOM 981 O ARG A 65 -5.865 11.093 10.204 1.00 0.96 O ATOM 982 CB ARG A 65 -4.925 8.035 10.716 1.00 0.89 C ATOM 983 CG ARG A 65 -5.862 8.242 11.895 1.00 1.36 C ATOM 984 CD ARG A 65 -7.164 7.484 11.705 1.00 1.44 C ATOM 985 NE ARG A 65 -8.296 8.183 12.313 1.00 2.20 N ATOM 986 CZ ARG A 65 -9.380 7.574 12.790 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.471 6.248 12.762 1.00 1.87 N ATOM 988 NH2 ARG A 65 -10.371 8.296 13.300 1.00 3.12 N ATOM 0 H ARG A 65 -3.894 7.667 8.503 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.365 8.763 9.296 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.926 6.980 10.442 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.909 8.284 11.021 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.375 7.909 12.812 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.072 9.305 12.013 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.352 7.346 10.640 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -7.073 6.490 12.144 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.252 9.200 12.376 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.709 5.693 12.374 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -10.303 5.786 13.129 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -10.300 9.313 13.325 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -11.203 7.833 13.666 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.769 10.754 9.463 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.343 12.139 9.672 1.00 0.88 C ATOM 1004 C GLU A 66 -4.073 13.103 8.741 1.00 0.89 C ATOM 1005 O GLU A 66 -4.302 14.263 9.089 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.841 12.285 9.434 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.983 11.392 10.305 1.00 1.05 C ATOM 1008 CD GLU A 66 0.494 11.610 10.062 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.943 11.426 8.913 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.221 11.955 11.022 1.00 1.38 O ATOM 0 H GLU A 66 -3.045 10.147 9.079 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.586 12.388 10.705 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.628 12.066 8.388 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.557 13.323 9.607 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -1.210 11.583 11.354 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.232 10.349 10.110 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.437 12.625 7.560 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.106 13.468 6.575 1.00 0.87 C ATOM 1019 C ASN A 67 -6.560 13.066 6.371 1.00 0.89 C ATOM 1020 O ASN A 67 -7.223 13.573 5.467 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.355 13.407 5.243 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.092 14.244 5.244 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.096 15.397 4.813 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.002 13.669 5.727 1.00 1.09 N ATOM 0 H ASN A 67 -4.282 11.663 7.260 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.099 14.489 6.956 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.099 12.371 5.022 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.012 13.750 4.444 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.122 14.184 5.752 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.042 12.711 6.074 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.049 12.155 7.211 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.434 11.675 7.128 1.00 0.94 C ATOM 1033 C ASN A 68 -8.712 11.088 5.742 1.00 0.87 C ATOM 1034 O ASN A 68 -9.792 11.255 5.174 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.413 12.815 7.444 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.830 12.333 7.706 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -11.058 11.162 8.014 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.789 13.234 7.589 1.00 2.18 N ATOM 0 H ASN A 68 -6.505 11.730 7.962 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.577 10.887 7.867 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.055 13.361 8.317 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.424 13.517 6.611 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.760 12.970 7.756 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.558 14.194 7.332 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.724 10.381 5.214 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.832 9.775 3.899 1.00 0.73 C ATOM 1047 C LEU A 69 -8.476 8.401 3.987 1.00 0.70 C ATOM 1048 O LEU A 69 -8.394 7.728 5.014 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.452 9.655 3.247 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.676 10.967 3.103 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.289 10.702 2.541 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.428 11.945 2.213 1.00 0.77 C ATOM 0 H LEU A 69 -6.833 10.213 5.681 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.462 10.419 3.286 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.851 8.960 3.834 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.574 9.214 2.257 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.574 11.413 4.092 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.749 11.644 2.444 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.744 10.039 3.214 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.377 10.232 1.561 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.858 12.870 2.125 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.563 11.507 1.224 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.403 12.160 2.651 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.121 7.999 2.908 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.771 6.702 2.842 1.00 0.70 C ATOM 1066 C LYS A 70 -8.980 5.804 1.909 1.00 0.62 C ATOM 1067 O LYS A 70 -8.772 6.137 0.741 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.221 6.836 2.365 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.180 7.308 3.450 1.00 0.80 C ATOM 1070 CD LYS A 70 -12.003 8.789 3.752 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.673 9.179 5.059 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.453 10.614 5.389 1.00 3.05 N ATOM 0 H LYS A 70 -9.209 8.557 2.058 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.797 6.262 3.839 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.257 7.537 1.531 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.560 5.872 1.986 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.207 7.121 3.135 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.015 6.729 4.359 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.940 9.026 3.803 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.423 9.379 2.937 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.743 8.982 4.991 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.285 8.557 5.866 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -12.448 10.736 6.422 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -11.540 10.924 4.999 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -13.218 11.186 4.977 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.530 4.678 2.427 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.726 3.756 1.647 1.00 0.57 C ATOM 1088 C ILE A 71 -8.583 2.771 0.865 1.00 0.56 C ATOM 1089 O ILE A 71 -9.464 2.106 1.418 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.741 2.974 2.539 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.935 3.940 3.413 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.814 2.121 1.685 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.935 3.251 4.318 1.00 0.86 C ATOM 0 H ILE A 71 -8.707 4.379 3.386 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.164 4.366 0.939 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.310 2.312 3.192 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.406 4.643 2.770 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.623 4.524 4.024 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.125 1.575 2.330 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.404 1.413 1.103 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.248 2.763 1.010 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.402 3.998 4.906 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.459 2.569 4.987 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.223 2.690 3.713 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.320 2.708 -0.432 1.00 0.53 N ATOM 1106 CA ILE A 72 -9.007 1.801 -1.336 1.00 0.54 C ATOM 1107 C ILE A 72 -7.969 1.105 -2.214 1.00 0.50 C ATOM 1108 O ILE A 72 -7.572 1.616 -3.259 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.041 2.535 -2.220 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.516 3.913 -2.646 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.362 2.673 -1.480 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.354 4.578 -3.715 1.00 0.99 C ATOM 0 H ILE A 72 -7.618 3.290 -0.889 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.556 1.071 -0.741 1.00 0.54 H new ATOM 0 HB ILE A 72 -10.205 1.943 -3.120 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.475 4.563 -1.772 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.495 3.806 -3.011 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.081 3.192 -2.114 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.745 1.683 -1.231 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.208 3.243 -0.564 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.922 5.547 -3.965 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.374 3.949 -4.605 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.370 4.718 -3.346 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.504 -0.048 -1.769 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.482 -0.784 -2.494 1.00 0.43 C ATOM 1126 C ALA A 73 -7.067 -1.726 -3.530 1.00 0.43 C ATOM 1127 O ALA A 73 -7.877 -2.598 -3.211 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.612 -1.557 -1.520 1.00 0.50 C ATOM 0 H ALA A 73 -7.818 -0.496 -0.908 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.878 -0.053 -3.031 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.848 -2.106 -2.071 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.133 -0.863 -0.830 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.229 -2.258 -0.959 1.00 0.50 H new ATOM 1134 N SER A 74 -6.650 -1.534 -4.771 1.00 0.48 N ATOM 1135 CA SER A 74 -7.088 -2.379 -5.864 1.00 0.53 C ATOM 1136 C SER A 74 -6.094 -3.523 -6.030 1.00 0.46 C ATOM 1137 O SER A 74 -6.428 -4.588 -6.555 1.00 0.55 O ATOM 1138 CB SER A 74 -7.206 -1.562 -7.149 1.00 0.69 C ATOM 1139 OG SER A 74 -8.025 -0.422 -6.942 1.00 0.94 O ATOM 0 H SER A 74 -6.004 -0.794 -5.045 1.00 0.48 H new ATOM 0 HA SER A 74 -8.073 -2.792 -5.644 1.00 0.53 H new ATOM 0 HB2 SER A 74 -6.216 -1.250 -7.480 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.627 -2.180 -7.942 1.00 0.69 H new ATOM 0 HG SER A 74 -7.465 0.381 -6.907 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.869 -3.284 -5.564 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.809 -4.277 -5.611 1.00 0.48 C ATOM 1147 C CYS A 75 -4.197 -5.465 -4.741 1.00 0.45 C ATOM 1148 O CYS A 75 -4.499 -5.297 -3.560 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.496 -3.665 -5.115 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.194 -4.865 -4.743 1.00 1.31 S ATOM 0 H CYS A 75 -4.589 -2.397 -5.145 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.669 -4.612 -6.639 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.127 -2.971 -5.870 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.700 -3.081 -4.218 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.152 -4.618 -5.480 1.00 1.31 H new ATOM 1156 N SER A 76 -4.190 -6.654 -5.326 1.00 0.57 N ATOM 1157 CA SER A 76 -4.562 -7.871 -4.616 1.00 0.64 C ATOM 1158 C SER A 76 -3.771 -8.054 -3.321 1.00 0.61 C ATOM 1159 O SER A 76 -4.343 -8.382 -2.286 1.00 0.61 O ATOM 1160 CB SER A 76 -4.363 -9.078 -5.530 1.00 0.82 C ATOM 1161 OG SER A 76 -3.357 -8.820 -6.498 1.00 1.12 O ATOM 0 H SER A 76 -3.928 -6.803 -6.300 1.00 0.57 H new ATOM 0 HA SER A 76 -5.612 -7.784 -4.339 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.086 -9.948 -4.935 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.301 -9.319 -6.030 1.00 0.82 H new ATOM 0 HG SER A 76 -3.245 -9.607 -7.071 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.464 -7.826 -3.377 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.618 -7.987 -2.200 1.00 0.62 C ATOM 1169 C PHE A 77 -1.951 -6.945 -1.136 1.00 0.55 C ATOM 1170 O PHE A 77 -2.187 -7.284 0.028 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.140 -7.891 -2.580 1.00 0.68 C ATOM 1172 CG PHE A 77 0.783 -8.067 -1.409 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.000 -9.323 -0.861 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.442 -6.979 -0.862 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.858 -9.487 0.207 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.299 -7.139 0.208 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.470 -8.393 0.772 1.00 0.95 C ATOM 0 H PHE A 77 -1.969 -7.531 -4.219 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.813 -8.976 -1.786 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.086 -8.649 -3.330 1.00 0.68 H new ATOM 0 HB3 PHE A 77 0.048 -6.921 -3.040 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.492 -10.181 -1.275 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.284 -5.995 -1.277 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.049 -10.475 0.599 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.835 -6.289 0.605 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.083 -8.511 1.654 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.974 -5.682 -1.543 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.273 -4.587 -0.629 1.00 0.46 C ATOM 1189 C ALA A 78 -3.659 -4.749 -0.021 1.00 0.44 C ATOM 1190 O ALA A 78 -3.835 -4.613 1.189 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.159 -3.252 -1.348 1.00 0.47 C ATOM 0 H ALA A 78 -1.789 -5.390 -2.503 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.544 -4.610 0.181 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.385 -2.444 -0.653 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.145 -3.130 -1.729 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.865 -3.224 -2.178 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.636 -5.058 -0.865 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.008 -5.248 -0.416 1.00 0.47 C ATOM 1199 C LYS A 79 -6.092 -6.417 0.552 1.00 0.52 C ATOM 1200 O LYS A 79 -6.699 -6.306 1.616 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.926 -5.505 -1.615 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.359 -5.833 -1.230 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.216 -6.104 -2.453 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.524 -6.784 -2.081 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.304 -8.150 -1.535 1.00 1.27 N ATOM 0 H LYS A 79 -4.502 -5.183 -1.868 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.332 -4.341 0.095 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.925 -4.624 -2.257 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.520 -6.329 -2.202 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.371 -6.705 -0.576 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.783 -5.004 -0.664 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.426 -5.165 -2.966 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.665 -6.733 -3.152 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.051 -6.179 -1.343 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.165 -6.844 -2.961 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -10.806 -8.844 -2.125 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -9.286 -8.365 -1.537 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.666 -8.197 -0.561 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.452 -7.521 0.183 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.460 -8.727 1.000 1.00 0.64 C ATOM 1221 C HIS A 80 -4.946 -8.454 2.407 1.00 0.60 C ATOM 1222 O HIS A 80 -5.514 -8.939 3.376 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.625 -9.832 0.344 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.732 -11.151 1.042 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.819 -11.982 0.912 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.883 -11.772 1.892 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -5.639 -13.056 1.654 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -4.469 -12.955 2.261 1.00 1.13 N ATOM 0 H HIS A 80 -4.918 -7.605 -0.682 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.495 -9.061 1.076 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.943 -9.951 -0.692 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.580 -9.524 0.324 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -2.922 -11.404 2.219 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -6.331 -13.880 1.750 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -4.069 -13.643 2.898 1.00 1.13 H new ATOM 1237 N MET A 81 -3.873 -7.682 2.523 1.00 0.58 N ATOM 1238 CA MET A 81 -3.315 -7.374 3.834 1.00 0.59 C ATOM 1239 C MET A 81 -4.175 -6.358 4.575 1.00 0.54 C ATOM 1240 O MET A 81 -4.356 -6.461 5.788 1.00 0.58 O ATOM 1241 CB MET A 81 -1.881 -6.863 3.714 1.00 0.64 C ATOM 1242 CG MET A 81 -1.274 -6.451 5.048 1.00 1.25 C ATOM 1243 SD MET A 81 0.445 -6.961 5.224 1.00 1.51 S ATOM 1244 CE MET A 81 1.167 -6.191 3.780 1.00 1.09 C ATOM 0 H MET A 81 -3.377 -7.262 1.737 1.00 0.58 H new ATOM 0 HA MET A 81 -3.305 -8.300 4.410 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.262 -7.640 3.266 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.862 -6.010 3.036 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.339 -5.368 5.152 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.861 -6.884 5.858 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.254 -6.213 3.861 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.859 -6.733 2.886 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.829 -5.157 3.712 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.710 -5.392 3.842 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.547 -4.358 4.437 1.00 0.51 C ATOM 1256 C LEU A 82 -6.840 -4.947 4.993 1.00 0.56 C ATOM 1257 O LEU A 82 -7.291 -4.563 6.070 1.00 0.58 O ATOM 1258 CB LEU A 82 -5.858 -3.267 3.414 1.00 0.53 C ATOM 1259 CG LEU A 82 -4.780 -2.193 3.268 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.003 -1.388 2.000 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.769 -1.279 4.485 1.00 0.49 C ATOM 0 H LEU A 82 -4.580 -5.302 2.834 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.994 -3.915 5.265 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.017 -3.735 2.443 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.795 -2.785 3.693 1.00 0.53 H new ATOM 0 HG LEU A 82 -3.810 -2.685 3.199 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.227 -0.628 1.911 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -4.962 -2.051 1.136 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -5.980 -0.906 2.042 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.995 -0.521 4.364 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.740 -0.794 4.585 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.564 -1.867 5.380 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.435 -5.877 4.256 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.666 -6.516 4.702 1.00 0.70 C ATOM 1275 C GLU A 83 -8.349 -7.549 5.779 1.00 0.68 C ATOM 1276 O GLU A 83 -9.180 -7.849 6.634 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.406 -7.167 3.525 1.00 0.85 C ATOM 1278 CG GLU A 83 -8.656 -8.322 2.876 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.218 -8.700 1.522 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.216 -8.087 1.093 1.00 1.45 O ATOM 1281 OE2 GLU A 83 -8.661 -9.616 0.878 1.00 1.46 O ATOM 0 H GLU A 83 -7.088 -6.203 3.354 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.322 -5.754 5.124 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -10.374 -7.528 3.874 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.603 -6.407 2.769 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -7.606 -8.051 2.766 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.694 -9.189 3.535 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.133 -8.077 5.722 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.663 -9.066 6.684 1.00 0.69 C ATOM 1290 C LYS A 84 -6.460 -8.417 8.044 1.00 0.68 C ATOM 1291 O LYS A 84 -6.870 -8.954 9.075 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.347 -9.679 6.191 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.608 -10.525 7.216 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.101 -10.387 7.045 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.569 -9.182 7.804 1.00 1.94 C ATOM 1296 NZ LYS A 84 -2.450 -9.452 9.259 1.00 2.33 N ATOM 0 H LYS A 84 -6.446 -7.832 5.009 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.410 -9.854 6.781 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.556 -10.295 5.316 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.689 -8.874 5.864 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.894 -10.218 8.222 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.897 -11.570 7.108 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.608 -11.291 7.401 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.860 -10.289 5.987 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -1.593 -8.904 7.405 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -3.232 -8.332 7.646 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -2.520 -8.558 9.785 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -3.215 -10.090 9.557 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -1.531 -9.898 9.455 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.817 -7.258 8.036 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.549 -6.526 9.258 1.00 0.96 C ATOM 1312 C GLU A 85 -6.726 -5.626 9.601 1.00 0.93 C ATOM 1313 O GLU A 85 -6.852 -4.526 9.064 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.274 -5.692 9.117 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.583 -5.423 10.443 1.00 1.07 C ATOM 1316 CD GLU A 85 -3.137 -6.698 11.124 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.118 -7.279 10.694 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -3.810 -7.138 12.081 1.00 1.60 O ATOM 0 H GLU A 85 -5.471 -6.805 7.190 1.00 0.84 H new ATOM 0 HA GLU A 85 -5.406 -7.245 10.065 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.582 -6.209 8.453 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.520 -4.741 8.644 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.718 -4.781 10.276 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.262 -4.880 11.101 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.578 -6.097 10.504 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.759 -5.342 10.929 1.00 1.10 C ATOM 1327 C ASP A 86 -8.355 -3.993 11.506 1.00 1.02 C ATOM 1328 O ASP A 86 -9.103 -3.020 11.432 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.546 -6.134 11.974 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.885 -5.499 12.296 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -11.858 -5.729 11.542 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -10.963 -4.756 13.296 1.00 2.27 O ATOM 0 H ASP A 86 -7.475 -7.003 10.960 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.389 -5.176 10.055 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.707 -7.149 11.611 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -8.955 -6.212 12.887 1.00 1.36 H new ATOM 1337 N SER A 87 -7.154 -3.945 12.062 1.00 1.05 N ATOM 1338 CA SER A 87 -6.614 -2.734 12.656 1.00 1.08 C ATOM 1339 C SER A 87 -6.469 -1.607 11.628 1.00 0.93 C ATOM 1340 O SER A 87 -6.537 -0.430 11.977 1.00 0.97 O ATOM 1341 CB SER A 87 -5.255 -3.044 13.280 1.00 1.27 C ATOM 1342 OG SER A 87 -5.222 -4.371 13.786 1.00 1.46 O ATOM 0 H SER A 87 -6.526 -4.747 12.114 1.00 1.05 H new ATOM 0 HA SER A 87 -7.312 -2.391 13.420 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.470 -2.915 12.535 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.050 -2.338 14.085 1.00 1.27 H new ATOM 0 HG SER A 87 -4.342 -4.549 14.180 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.290 -1.973 10.362 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.116 -0.990 9.295 1.00 0.88 C ATOM 1350 C TYR A 88 -7.450 -0.627 8.648 1.00 0.89 C ATOM 1351 O TYR A 88 -7.510 0.240 7.777 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.167 -1.534 8.219 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.711 -1.653 8.642 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.285 -1.112 9.850 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.768 -2.304 7.850 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.968 -1.213 10.257 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.446 -2.410 8.255 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.031 -1.881 9.376 1.00 0.93 C ATOM 1359 OH TYR A 88 0.259 -1.965 9.869 1.00 1.00 O ATOM 0 H TYR A 88 -6.261 -2.943 10.049 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.690 -0.093 9.744 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.520 -2.517 7.909 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.223 -0.885 7.345 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.997 -0.603 10.483 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.071 -2.733 6.906 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.646 -0.806 11.204 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.744 -2.942 7.630 1.00 0.97 H new ATOM 0 HH TYR A 88 0.828 -2.428 9.219 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.525 -1.272 9.089 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.846 -1.026 8.520 1.00 1.18 C ATOM 1371 C GLN A 89 -10.492 0.238 9.084 1.00 1.16 C ATOM 1372 O GLN A 89 -11.656 0.524 8.804 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.756 -2.231 8.745 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.356 -3.448 7.927 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.435 -4.509 7.903 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -12.625 -4.205 7.970 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -11.029 -5.762 7.808 1.00 2.33 N ATOM 0 H GLN A 89 -8.508 -1.967 9.836 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.712 -0.872 7.449 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.745 -2.493 9.803 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.781 -1.955 8.496 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.132 -3.138 6.906 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.441 -3.874 8.339 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -10.032 -5.973 7.755 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -11.712 -6.519 7.788 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.740 0.996 9.871 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.254 2.237 10.441 1.00 1.17 C ATOM 1388 C ASP A 90 -10.169 3.343 9.394 1.00 1.09 C ATOM 1389 O ASP A 90 -10.923 4.317 9.435 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.491 2.619 11.717 1.00 1.18 C ATOM 1391 CG ASP A 90 -8.120 3.208 11.448 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -7.370 2.625 10.635 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -7.797 4.261 12.030 1.00 2.03 O ATOM 0 H ASP A 90 -8.778 0.776 10.129 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.297 2.095 10.724 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -10.082 3.339 12.283 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.381 1.734 12.344 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.243 3.175 8.453 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.064 4.123 7.363 1.00 0.79 C ATOM 1400 C VAL A 91 -9.296 3.430 6.022 1.00 0.73 C ATOM 1401 O VAL A 91 -9.590 4.072 5.013 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.665 4.775 7.379 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.588 5.838 8.461 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.578 3.730 7.581 1.00 0.78 C ATOM 0 H VAL A 91 -8.601 2.383 8.427 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.798 4.917 7.501 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.501 5.249 6.411 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.595 6.288 8.459 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.336 6.608 8.269 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.778 5.382 9.433 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.603 4.216 7.588 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.736 3.220 8.531 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.616 3.004 6.769 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.151 2.109 6.021 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.374 1.316 4.824 1.00 0.71 C ATOM 1416 C TYR A 92 -10.839 0.911 4.764 1.00 0.80 C ATOM 1417 O TYR A 92 -11.393 0.417 5.746 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.470 0.076 4.820 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.805 -0.938 3.743 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.680 -0.620 2.397 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.250 -2.212 4.075 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -8.986 -1.542 1.415 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.557 -3.138 3.098 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.425 -2.798 1.771 1.00 1.02 C ATOM 1425 OH TYR A 92 -9.734 -3.715 0.795 1.00 1.14 O ATOM 0 H TYR A 92 -8.879 1.566 6.841 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.126 1.911 3.945 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.436 0.395 4.693 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.536 -0.410 5.793 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.338 0.364 2.113 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.358 -2.482 5.115 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -8.881 -1.279 0.373 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -9.899 -4.125 3.374 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.027 -4.552 1.213 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.461 1.116 3.614 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.873 0.793 3.434 1.00 0.84 C ATOM 1437 C LEU A 93 -13.100 -0.712 3.283 1.00 1.05 C ATOM 1438 O LEU A 93 -13.672 -1.167 2.293 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.431 1.538 2.217 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.271 3.061 2.256 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.861 3.692 1.008 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.926 3.639 3.502 1.00 1.42 C ATOM 0 H LEU A 93 -11.011 1.506 2.786 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.403 1.115 4.331 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.938 1.160 1.322 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.491 1.302 2.121 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.206 3.290 2.289 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.738 4.774 1.054 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.348 3.306 0.127 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.922 3.450 0.945 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.801 4.722 3.510 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.989 3.397 3.500 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.458 3.213 4.390 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.659 -1.477 4.273 1.00 1.78 N ATOM 1455 CA GLY A 94 -12.833 -2.917 4.237 1.00 2.31 C ATOM 1456 C GLY A 94 -14.181 -3.330 4.785 1.00 3.01 C ATOM 1457 O GLY A 94 -14.748 -4.346 4.383 1.00 3.64 O ATOM 0 H GLY A 94 -12.182 -1.125 5.103 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -12.733 -3.270 3.211 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -12.043 -3.394 4.817 1.00 2.31 H new ATOM 1461 N LEU A 95 -14.701 -2.522 5.694 1.00 3.25 N ATOM 1462 CA LEU A 95 -15.994 -2.786 6.306 1.00 3.98 C ATOM 1463 C LEU A 95 -17.117 -2.283 5.405 1.00 3.60 C ATOM 1464 O LEU A 95 -17.675 -1.209 5.625 1.00 3.99 O ATOM 1465 CB LEU A 95 -16.083 -2.132 7.697 1.00 4.97 C ATOM 1466 CG LEU A 95 -15.089 -0.994 7.971 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -15.493 0.277 7.238 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -14.984 -0.737 9.465 1.00 6.50 C ATOM 0 H LEU A 95 -14.245 -1.672 6.026 1.00 3.25 H new ATOM 0 HA LEU A 95 -16.103 -3.863 6.430 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -17.093 -1.745 7.831 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -15.936 -2.906 8.450 1.00 4.97 H new ATOM 0 HG LEU A 95 -14.112 -1.299 7.597 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -14.771 1.065 7.451 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -15.516 0.086 6.165 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -16.482 0.591 7.572 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -14.276 0.072 9.646 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -15.962 -0.457 9.856 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -14.638 -1.641 9.966 1.00 6.50 H new ATOM 1480 N GLU A 96 -17.439 -3.061 4.382 1.00 3.30 N ATOM 1481 CA GLU A 96 -18.484 -2.678 3.446 1.00 3.30 C ATOM 1482 C GLU A 96 -19.851 -3.199 3.894 1.00 3.83 C ATOM 1483 O GLU A 96 -20.764 -2.411 4.130 1.00 4.33 O ATOM 1484 CB GLU A 96 -18.150 -3.144 2.018 1.00 3.38 C ATOM 1485 CG GLU A 96 -17.214 -4.341 1.940 1.00 3.76 C ATOM 1486 CD GLU A 96 -17.925 -5.648 2.192 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -18.461 -6.234 1.232 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -17.932 -6.113 3.347 1.00 5.15 O ATOM 0 H GLU A 96 -16.994 -3.956 4.180 1.00 3.30 H new ATOM 0 HA GLU A 96 -18.535 -1.589 3.436 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -19.079 -3.393 1.506 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -17.700 -2.313 1.476 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -16.747 -4.369 0.956 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -16.413 -4.220 2.670 1.00 3.76 H new ATOM 1495 N HIS A 97 -19.988 -4.518 4.031 1.00 4.10 N ATOM 1496 CA HIS A 97 -21.261 -5.111 4.445 1.00 4.81 C ATOM 1497 C HIS A 97 -21.142 -6.609 4.742 1.00 4.91 C ATOM 1498 O HIS A 97 -21.791 -7.109 5.655 1.00 5.78 O ATOM 1499 CB HIS A 97 -22.356 -4.877 3.385 1.00 5.50 C ATOM 1500 CG HIS A 97 -21.977 -5.282 1.987 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -22.161 -6.554 1.492 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -21.423 -4.565 0.978 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -21.732 -6.604 0.242 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -21.281 -5.411 -0.092 1.00 5.53 N ATOM 0 H HIS A 97 -19.241 -5.192 3.863 1.00 4.10 H new ATOM 0 HA HIS A 97 -21.543 -4.609 5.370 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -23.250 -5.428 3.678 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -22.620 -3.819 3.383 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -21.145 -3.522 1.011 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -21.748 -7.475 -0.397 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -20.890 -5.158 -0.999 1.00 5.53 H new ATOM 1513 N HIS A 98 -20.304 -7.324 3.998 1.00 4.24 N ATOM 1514 CA HIS A 98 -20.174 -8.765 4.205 1.00 4.57 C ATOM 1515 C HIS A 98 -19.075 -9.098 5.217 1.00 5.57 C ATOM 1516 O HIS A 98 -19.263 -9.966 6.064 1.00 6.29 O ATOM 1517 CB HIS A 98 -19.980 -9.504 2.859 1.00 4.01 C ATOM 1518 CG HIS A 98 -18.563 -9.664 2.384 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -17.881 -8.689 1.693 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -17.711 -10.707 2.487 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -16.675 -9.125 1.394 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -16.544 -10.346 1.864 1.00 5.02 N ATOM 0 H HIS A 98 -19.714 -6.940 3.260 1.00 4.24 H new ATOM 0 HA HIS A 98 -21.107 -9.125 4.638 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -20.425 -10.495 2.946 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -20.540 -8.969 2.092 1.00 4.01 H new ATOM 0 HD1 HIS A 98 -18.252 -7.771 1.450 1.00 4.75 H new ATOM 0 HD2 HIS A 98 -17.912 -11.651 2.971 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -15.920 -8.573 0.854 1.00 5.20 H new ATOM 1531 N HIS A 99 -17.943 -8.389 5.141 1.00 5.88 N ATOM 1532 CA HIS A 99 -16.810 -8.598 6.065 1.00 7.00 C ATOM 1533 C HIS A 99 -16.270 -10.032 6.003 1.00 7.19 C ATOM 1534 O HIS A 99 -16.778 -10.868 5.258 1.00 6.84 O ATOM 1535 CB HIS A 99 -17.216 -8.287 7.515 1.00 7.91 C ATOM 1536 CG HIS A 99 -17.888 -6.965 7.695 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -19.260 -6.820 7.728 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -17.375 -5.724 7.851 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -19.561 -5.548 7.894 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -18.437 -4.861 7.972 1.00 10.32 N ATOM 0 H HIS A 99 -17.782 -7.660 4.446 1.00 5.88 H new ATOM 0 HA HIS A 99 -16.024 -7.914 5.745 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -17.884 -9.072 7.869 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -16.326 -8.318 8.144 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -16.328 -5.461 7.876 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -20.558 -5.137 7.956 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -18.368 -3.852 8.101 1.00 10.32 H new ATOM 1549 N HIS A 100 -15.232 -10.292 6.798 1.00 7.91 N ATOM 1550 CA HIS A 100 -14.597 -11.613 6.892 1.00 8.32 C ATOM 1551 C HIS A 100 -14.180 -12.151 5.520 1.00 8.49 C ATOM 1552 O HIS A 100 -13.099 -11.833 5.026 1.00 8.85 O ATOM 1553 CB HIS A 100 -15.527 -12.606 7.603 1.00 8.84 C ATOM 1554 CG HIS A 100 -14.824 -13.787 8.197 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -14.592 -13.920 9.546 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -14.308 -14.898 7.618 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -13.967 -15.058 9.770 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -13.782 -15.672 8.618 1.00 10.32 N ATOM 0 H HIS A 100 -14.803 -9.589 7.400 1.00 7.91 H new ATOM 0 HA HIS A 100 -13.688 -11.496 7.482 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -16.064 -12.082 8.393 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -16.273 -12.961 6.892 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -14.311 -15.130 6.563 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -13.658 -15.427 10.737 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -13.323 -16.574 8.492 1.00 10.32 H new ATOM 1567 N HIS A 101 -15.040 -12.955 4.903 1.00 8.41 N ATOM 1568 CA HIS A 101 -14.746 -13.530 3.599 1.00 8.73 C ATOM 1569 C HIS A 101 -16.028 -13.696 2.797 1.00 9.24 C ATOM 1570 O HIS A 101 -16.094 -13.310 1.631 1.00 9.03 O ATOM 1571 CB HIS A 101 -14.037 -14.879 3.749 1.00 8.88 C ATOM 1572 CG HIS A 101 -13.328 -15.320 2.505 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -13.813 -16.299 1.672 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -12.167 -14.897 1.950 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -12.985 -16.464 0.660 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -11.975 -15.624 0.801 1.00 9.49 N ATOM 0 H HIS A 101 -15.946 -13.222 5.287 1.00 8.41 H new ATOM 0 HA HIS A 101 -14.081 -12.850 3.066 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -13.317 -14.814 4.565 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -14.769 -15.637 4.029 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -11.514 -14.130 2.339 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -13.111 -17.168 -0.149 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -11.185 -15.531 0.163 1.00 9.49 H new ATOM 1585 N HIS A 102 -17.048 -14.256 3.432 1.00 10.03 N ATOM 1586 CA HIS A 102 -18.328 -14.465 2.781 1.00 10.75 C ATOM 1587 C HIS A 102 -19.409 -13.642 3.468 1.00 11.48 C ATOM 1588 O HIS A 102 -20.067 -12.838 2.780 1.00 11.72 O ATOM 1589 CB HIS A 102 -18.700 -15.951 2.795 1.00 11.25 C ATOM 1590 CG HIS A 102 -19.981 -16.254 2.085 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -20.942 -17.101 2.593 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -20.456 -15.819 0.897 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -21.950 -17.175 1.747 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -21.680 -16.407 0.712 1.00 12.14 N ATOM 1595 OXT HIS A 102 -19.588 -13.800 4.692 1.00 11.93 O ATOM 0 H HIS A 102 -17.011 -14.574 4.401 1.00 10.03 H new ATOM 0 HA HIS A 102 -18.247 -14.139 1.744 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -17.895 -16.523 2.334 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -18.779 -16.288 3.829 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -19.964 -15.136 0.220 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -22.845 -17.765 1.880 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -22.285 -16.271 -0.098 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -1.367 -13.168 -1.400 1.00 1.26 N HETATM 1606 C2A ACO A 103 -1.564 -11.951 -0.754 1.00 1.17 C HETATM 1607 N3A ACO A 103 -0.939 -11.734 0.472 1.00 1.07 N HETATM 1608 C4A ACO A 103 -0.163 -12.699 1.000 1.00 1.07 C HETATM 1609 C5A ACO A 103 0.014 -13.862 0.359 1.00 1.24 C HETATM 1610 C6A ACO A 103 -0.582 -14.087 -0.819 1.00 1.33 C HETATM 1611 N6A ACO A 103 -0.343 -15.260 -1.396 1.00 1.58 N HETATM 1612 N7A ACO A 103 0.817 -14.621 1.105 1.00 1.38 N HETATM 1613 C8A ACO A 103 1.144 -13.931 2.194 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.536 -12.749 2.128 1.00 1.07 N HETATM 1615 C1B ACO A 103 0.638 -11.654 3.121 1.00 1.03 C HETATM 1616 C2B ACO A 103 0.819 -12.145 4.547 1.00 1.11 C HETATM 1617 O2B ACO A 103 -0.459 -12.263 5.199 1.00 1.48 O HETATM 1618 C3B ACO A 103 1.649 -11.048 5.198 1.00 1.01 C HETATM 1619 O3B ACO A 103 0.876 -10.372 6.201 1.00 1.23 O HETATM 1620 P3B ACO A 103 1.037 -10.772 7.753 1.00 1.16 P HETATM 1621 O7A ACO A 103 2.617 -10.718 8.065 1.00 1.71 O HETATM 1622 O8A ACO A 103 0.581 -12.302 7.905 1.00 1.81 O HETATM 1623 O9A ACO A 103 0.268 -9.874 8.639 1.00 2.04 O HETATM 1624 C4B ACO A 103 1.974 -10.091 4.058 1.00 1.04 C HETATM 1625 O4B ACO A 103 1.811 -10.869 2.865 1.00 1.04 O HETATM 1626 C5B ACO A 103 3.403 -9.568 4.180 1.00 1.18 C HETATM 1627 O5B ACO A 103 4.205 -10.115 3.131 1.00 1.28 O HETATM 1628 P1A ACO A 103 5.507 -9.326 2.607 1.00 1.52 P HETATM 1629 O1A ACO A 103 5.280 -7.865 2.702 1.00 2.30 O HETATM 1630 O2A ACO A 103 6.727 -9.863 3.265 1.00 2.20 O HETATM 1631 O3A ACO A 103 5.586 -9.736 1.056 1.00 1.44 O HETATM 1632 P2A ACO A 103 5.578 -11.286 0.627 1.00 1.59 P HETATM 1633 O4A ACO A 103 4.281 -11.909 1.001 1.00 2.35 O HETATM 1634 O5A ACO A 103 6.813 -11.943 1.100 1.00 2.24 O HETATM 1635 O6A ACO A 103 5.630 -11.212 -0.980 1.00 1.29 O HETATM 1636 CBP ACO A 103 4.478 -10.176 -2.844 1.00 0.94 C HETATM 1637 CCP ACO A 103 4.429 -11.254 -1.757 1.00 1.05 C HETATM 1638 CDP ACO A 103 3.303 -10.378 -3.806 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.382 -8.791 -2.190 1.00 0.88 C HETATM 1640 CAP ACO A 103 5.804 -10.292 -3.611 1.00 0.97 C HETATM 1641 OAP ACO A 103 5.946 -11.620 -4.120 1.00 1.11 O HETATM 1642 C9P ACO A 103 5.830 -9.296 -4.779 1.00 0.94 C HETATM 1643 O9P ACO A 103 5.069 -8.328 -4.808 1.00 0.99 O HETATM 1644 N8P ACO A 103 6.736 -9.563 -5.731 1.00 1.53 N HETATM 1645 C7P ACO A 103 6.816 -8.781 -6.972 1.00 1.93 C HETATM 1646 C6P ACO A 103 5.776 -9.294 -7.967 1.00 2.42 C HETATM 1647 C5P ACO A 103 4.919 -8.132 -8.471 1.00 2.41 C HETATM 1648 O5P ACO A 103 4.951 -7.787 -9.654 1.00 3.30 O HETATM 1649 N4P ACO A 103 4.154 -7.542 -7.541 1.00 1.79 N HETATM 1650 C3P ACO A 103 2.978 -8.208 -6.958 1.00 2.18 C HETATM 1651 C2P ACO A 103 2.014 -8.622 -8.071 1.00 2.07 C HETATM 1652 S1P ACO A 103 1.589 -7.210 -9.154 1.00 2.13 S HETATM 1653 C ACO A 103 0.650 -6.216 -8.013 1.00 1.95 C HETATM 1654 O ACO A 103 1.293 -5.168 -7.284 1.00 1.49 O HETATM 1655 CH3 ACO A 103 -0.844 -6.486 -7.807 1.00 3.07 C HETATM 0 HO2A ACO A 103 -0.673 -11.422 5.654 1.00 1.48 H new HETATM 0 HH33 ACO A 103 -1.370 -6.364 -8.754 1.00 3.07 H new HETATM 0 HH32 ACO A 103 -0.983 -7.504 -7.443 1.00 3.07 H new HETATM 0 HH31 ACO A 103 -1.244 -5.782 -7.077 1.00 3.07 H new HETATM 0 H62A ACO A 103 0.258 -15.943 -0.934 1.00 1.58 H new HETATM 0 H61A ACO A 103 -0.760 -15.478 -2.301 1.00 1.58 H new HETATM 0 H52A ACO A 103 3.408 -8.479 4.126 1.00 1.18 H new HETATM 0 H51A ACO A 103 3.819 -9.841 5.150 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.444 -8.712 -1.641 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.217 -8.654 -1.503 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.417 -8.021 -2.961 1.00 0.88 H new HETATM 0 H133 ACO A 103 3.374 -11.364 -4.265 1.00 1.01 H new HETATM 0 H132 ACO A 103 2.365 -10.301 -3.256 1.00 1.01 H new HETATM 0 H131 ACO A 103 3.333 -9.613 -4.582 1.00 1.01 H new HETATM 0 H122 ACO A 103 4.313 -12.238 -2.212 1.00 1.05 H new HETATM 0 H121 ACO A 103 3.563 -11.096 -1.114 1.00 1.05 H new HETATM 0 HO1 ACO A 103 6.889 -11.794 -4.322 1.00 1.11 H new HETATM 0 HN8 ACO A 103 7.390 -10.333 -5.589 1.00 1.53 H new HETATM 0 HN4 ACO A 103 4.395 -6.602 -7.228 1.00 1.79 H new HETATM 0 H8A ACO A 103 1.795 -14.273 2.998 1.00 1.26 H new HETATM 0 H72 ACO A 103 6.643 -7.726 -6.761 1.00 1.93 H new HETATM 0 H71 ACO A 103 7.815 -8.861 -7.401 1.00 1.93 H new HETATM 0 H62 ACO A 103 6.272 -9.782 -8.806 1.00 2.42 H new HETATM 0 H61 ACO A 103 5.144 -10.044 -7.491 1.00 2.42 H new HETATM 0 H4B ACO A 103 1.328 -9.213 4.062 1.00 1.04 H new HETATM 0 H3B ACO A 103 2.542 -11.436 5.688 1.00 1.01 H new HETATM 0 H32 ACO A 103 3.289 -9.084 -6.389 1.00 2.18 H new HETATM 0 H31 ACO A 103 2.477 -7.537 -6.261 1.00 2.18 H new HETATM 0 H2B ACO A 103 1.290 -13.126 4.606 1.00 1.11 H new HETATM 0 H2A ACO A 103 -2.195 -11.182 -1.199 1.00 1.17 H new HETATM 0 H22 ACO A 103 2.465 -9.416 -8.667 1.00 2.07 H new HETATM 0 H21 ACO A 103 1.104 -9.031 -7.632 1.00 2.07 H new HETATM 0 H1B ACO A 103 -0.296 -11.100 3.024 1.00 1.03 H new HETATM 0 H10 ACO A 103 6.626 -10.067 -2.931 1.00 0.97 H new