USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1074 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= 0 X(o=1.3,f=1.3) USER MOD Set 1.2: A 86 SER OG : rot 82:sc= 1.26 USER MOD Set 2.1: A 45 TYR OH : rot -30:sc= 0.978 USER MOD Set 2.2: A 57 THR OG1 : rot 81:sc= 1.35 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.57 K(o=3,f=-6.2) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 167:sc= 2.42 (180deg=1) USER MOD Set 4.1: A 8 SER OG : rot -150:sc= 0 USER MOD Set 4.2: A 12 HIS : no HD1:sc= 0.841 K(o=0.84,f=-6.3!) USER MOD Set 5.1: A 4 THR OG1 : rot -26:sc= 1.15 USER MOD Set 5.2: A 7 SER OG : rot -60:sc= 2.16 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A -3 SER OG : rot 45:sc= 0.198 USER MOD Single : A -4 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0977 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 1.92 K(o=1.9,f=-8.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -154:sc= -0.224 (180deg=-1.06) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc=-0.00595 (180deg=-0.0868) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0.137 (180deg=0.136) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 0.113 (180deg=-1.76!) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.13) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.18) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0113 (180deg=-0.182) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc=-0.00683 (180deg=-0.0989) USER MOD Single : A 59 HIS : no HD1:sc= -0.0714 X(o=-0.071,f=-0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-2.1!) USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= -0.082 (180deg=-0.102) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.03) USER MOD Single : A 84 LYS NZ :NH3+ -140:sc= 0.875 (180deg=-0.26) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -110:sc= -0.0826 (180deg=-0.404) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -0.0183 (180deg=-0.261) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 102 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 173:sc=-0.00425 (180deg=-0.105) USER MOD Single : A 110 LYS NZ :NH3+ -143:sc= 0.201 (180deg=-0.405!) USER MOD Single : A 111 GLN : amide:sc= -0.593 K(o=-0.59,f=-0.042) USER MOD Single : A 112 TYR OH : rot -74:sc= 0.211 USER MOD Single : A 121 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.807) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.15) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -12.483 12.242 -18.723 1.00 12.20 N ATOM 2 CA GLY A -4 -12.390 13.281 -17.670 1.00 11.71 C ATOM 3 C GLY A -4 -12.853 12.771 -16.326 1.00 10.84 C ATOM 4 O GLY A -4 -13.684 13.401 -15.671 1.00 10.86 O ATOM 0 H1 GLY A -4 -12.155 12.635 -19.628 1.00 12.20 H new ATOM 0 H2 GLY A -4 -11.888 11.430 -18.463 1.00 12.20 H new ATOM 0 H3 GLY A -4 -13.471 11.931 -18.818 1.00 12.20 H new ATOM 0 HA2 GLY A -4 -11.359 13.625 -17.591 1.00 11.71 H new ATOM 0 HA3 GLY A -4 -12.992 14.143 -17.957 1.00 11.71 H new ATOM 9 N SER A -3 -12.325 11.629 -15.910 1.00 10.23 N ATOM 10 CA SER A -3 -12.699 11.042 -14.636 1.00 9.45 C ATOM 11 C SER A -3 -11.671 11.383 -13.562 1.00 8.46 C ATOM 12 O SER A -3 -10.544 10.878 -13.588 1.00 8.10 O ATOM 13 CB SER A -3 -12.841 9.524 -14.784 1.00 9.56 C ATOM 14 OG SER A -3 -11.715 8.965 -15.445 1.00 9.90 O ATOM 0 H SER A -3 -11.637 11.092 -16.438 1.00 10.23 H new ATOM 0 HA SER A -3 -13.658 11.457 -14.327 1.00 9.45 H new ATOM 0 HB2 SER A -3 -12.951 9.069 -13.800 1.00 9.56 H new ATOM 0 HB3 SER A -3 -13.747 9.294 -15.345 1.00 9.56 H new ATOM 0 HG SER A -3 -10.894 9.350 -15.075 1.00 9.90 H new ATOM 20 N PRO A -2 -12.035 12.266 -12.617 1.00 8.27 N ATOM 21 CA PRO A -2 -11.158 12.644 -11.503 1.00 7.59 C ATOM 22 C PRO A -2 -10.800 11.440 -10.638 1.00 6.73 C ATOM 23 O PRO A -2 -11.604 10.511 -10.499 1.00 6.54 O ATOM 24 CB PRO A -2 -11.996 13.650 -10.705 1.00 8.12 C ATOM 25 CG PRO A -2 -13.032 14.136 -11.657 1.00 8.87 C ATOM 26 CD PRO A -2 -13.326 12.974 -12.559 1.00 9.01 C ATOM 0 HA PRO A -2 -10.208 13.053 -11.846 1.00 7.59 H new ATOM 0 HB2 PRO A -2 -12.451 13.180 -9.834 1.00 8.12 H new ATOM 0 HB3 PRO A -2 -11.381 14.472 -10.339 1.00 8.12 H new ATOM 0 HG2 PRO A -2 -13.929 14.459 -11.129 1.00 8.87 H new ATOM 0 HG3 PRO A -2 -12.671 14.993 -12.226 1.00 8.87 H new ATOM 0 HD2 PRO A -2 -14.116 12.340 -12.157 1.00 9.01 H new ATOM 0 HD3 PRO A -2 -13.652 13.301 -13.546 1.00 9.01 H new ATOM 34 N GLU A -1 -9.585 11.462 -10.081 1.00 6.51 N ATOM 35 CA GLU A -1 -9.061 10.374 -9.244 1.00 6.05 C ATOM 36 C GLU A -1 -8.687 9.149 -10.080 1.00 5.17 C ATOM 37 O GLU A -1 -7.639 8.536 -9.862 1.00 5.34 O ATOM 38 CB GLU A -1 -10.053 9.993 -8.140 1.00 6.62 C ATOM 39 CG GLU A -1 -10.335 11.125 -7.168 1.00 7.11 C ATOM 40 CD GLU A -1 -11.448 10.796 -6.200 1.00 7.82 C ATOM 41 OE1 GLU A -1 -11.163 10.189 -5.145 1.00 8.12 O ATOM 42 OE2 GLU A -1 -12.614 11.135 -6.487 1.00 8.29 O ATOM 0 H GLU A -1 -8.933 12.238 -10.198 1.00 6.51 H new ATOM 0 HA GLU A -1 -8.152 10.744 -8.770 1.00 6.05 H new ATOM 0 HB2 GLU A -1 -10.990 9.674 -8.597 1.00 6.62 H new ATOM 0 HB3 GLU A -1 -9.661 9.139 -7.588 1.00 6.62 H new ATOM 0 HG2 GLU A -1 -9.428 11.353 -6.609 1.00 7.11 H new ATOM 0 HG3 GLU A -1 -10.599 12.022 -7.728 1.00 7.11 H new ATOM 49 N PHE A 0 -9.529 8.795 -11.040 1.00 4.52 N ATOM 50 CA PHE A 0 -9.258 7.655 -11.903 1.00 3.81 C ATOM 51 C PHE A 0 -8.381 8.069 -13.084 1.00 2.87 C ATOM 52 O PHE A 0 -8.865 8.327 -14.189 1.00 2.71 O ATOM 53 CB PHE A 0 -10.561 7.019 -12.399 1.00 4.15 C ATOM 54 CG PHE A 0 -10.350 5.763 -13.198 1.00 4.33 C ATOM 55 CD1 PHE A 0 -9.851 4.619 -12.593 1.00 4.83 C ATOM 56 CD2 PHE A 0 -10.642 5.726 -14.552 1.00 4.43 C ATOM 57 CE1 PHE A 0 -9.651 3.463 -13.325 1.00 5.34 C ATOM 58 CE2 PHE A 0 -10.444 4.573 -15.288 1.00 4.95 C ATOM 59 CZ PHE A 0 -9.948 3.440 -14.673 1.00 5.37 C ATOM 0 H PHE A 0 -10.404 9.280 -11.241 1.00 4.52 H new ATOM 0 HA PHE A 0 -8.719 6.911 -11.317 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -11.195 6.792 -11.542 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -11.099 7.743 -13.011 1.00 4.15 H new ATOM 0 HD1 PHE A 0 -9.616 4.631 -11.539 1.00 4.83 H new ATOM 0 HD2 PHE A 0 -11.029 6.609 -15.038 1.00 4.43 H new ATOM 0 HE1 PHE A 0 -9.263 2.578 -12.842 1.00 5.34 H new ATOM 0 HE2 PHE A 0 -10.677 4.558 -16.343 1.00 4.95 H new ATOM 0 HZ PHE A 0 -9.793 2.538 -15.246 1.00 5.37 H new ATOM 69 N HIS A 1 -7.086 8.158 -12.827 1.00 2.77 N ATOM 70 CA HIS A 1 -6.111 8.439 -13.871 1.00 2.43 C ATOM 71 C HIS A 1 -5.055 7.344 -13.880 1.00 2.13 C ATOM 72 O HIS A 1 -5.046 6.477 -14.754 1.00 2.87 O ATOM 73 CB HIS A 1 -5.458 9.808 -13.658 1.00 3.10 C ATOM 74 CG HIS A 1 -6.399 10.969 -13.788 1.00 3.96 C ATOM 75 ND1 HIS A 1 -6.426 12.019 -12.899 1.00 4.72 N ATOM 76 CD2 HIS A 1 -7.337 11.249 -14.723 1.00 4.59 C ATOM 77 CE1 HIS A 1 -7.338 12.892 -13.277 1.00 5.61 C ATOM 78 NE2 HIS A 1 -7.908 12.449 -14.381 1.00 5.54 N ATOM 0 H HIS A 1 -6.683 8.039 -11.898 1.00 2.77 H new ATOM 0 HA HIS A 1 -6.621 8.461 -14.834 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -5.006 9.831 -12.666 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -4.650 9.928 -14.380 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -7.589 10.641 -15.579 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -7.578 13.814 -12.769 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -8.651 12.921 -14.896 1.00 5.54 H new ATOM 87 N HIS A 2 -4.170 7.387 -12.896 1.00 1.52 N ATOM 88 CA HIS A 2 -3.221 6.309 -12.662 1.00 1.53 C ATOM 89 C HIS A 2 -3.269 5.924 -11.195 1.00 1.34 C ATOM 90 O HIS A 2 -4.172 6.346 -10.471 1.00 2.13 O ATOM 91 CB HIS A 2 -1.791 6.719 -13.046 1.00 1.86 C ATOM 92 CG HIS A 2 -1.599 6.950 -14.511 1.00 2.38 C ATOM 93 ND1 HIS A 2 -1.088 5.994 -15.363 1.00 2.75 N ATOM 94 CD2 HIS A 2 -1.857 8.034 -15.276 1.00 3.17 C ATOM 95 CE1 HIS A 2 -1.043 6.482 -16.587 1.00 3.57 C ATOM 96 NE2 HIS A 2 -1.505 7.717 -16.563 1.00 3.83 N ATOM 0 H HIS A 2 -4.089 8.165 -12.241 1.00 1.52 H new ATOM 0 HA HIS A 2 -3.499 5.461 -13.288 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -1.528 7.629 -12.507 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -1.100 5.943 -12.717 1.00 1.86 H new ATOM 0 HD2 HIS A 2 -2.265 8.975 -14.937 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -0.688 5.958 -17.462 1.00 3.57 H new ATOM 0 HE2 HIS A 2 -1.587 8.335 -17.370 1.00 3.83 H new ATOM 105 N PHE A 3 -2.313 5.126 -10.756 1.00 1.08 N ATOM 106 CA PHE A 3 -2.239 4.745 -9.357 1.00 0.89 C ATOM 107 C PHE A 3 -1.667 5.893 -8.541 1.00 0.90 C ATOM 108 O PHE A 3 -0.468 6.174 -8.601 1.00 1.22 O ATOM 109 CB PHE A 3 -1.381 3.489 -9.189 1.00 0.94 C ATOM 110 CG PHE A 3 -1.876 2.322 -9.997 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.076 1.706 -9.686 1.00 0.90 C ATOM 112 CD2 PHE A 3 -1.138 1.844 -11.071 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.535 0.637 -10.430 1.00 0.97 C ATOM 114 CE2 PHE A 3 -1.594 0.774 -11.817 1.00 0.99 C ATOM 115 CZ PHE A 3 -2.793 0.171 -11.496 1.00 0.96 C ATOM 0 H PHE A 3 -1.580 4.730 -11.345 1.00 1.08 H new ATOM 0 HA PHE A 3 -3.244 4.522 -8.998 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.355 3.716 -9.480 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.359 3.210 -8.136 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.660 2.066 -8.852 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -0.199 2.313 -11.326 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.474 0.166 -10.178 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -1.012 0.410 -12.651 1.00 0.99 H new ATOM 0 HZ PHE A 3 -3.150 -0.665 -12.079 1.00 0.96 H new ATOM 125 N THR A 4 -2.526 6.559 -7.784 1.00 0.74 N ATOM 126 CA THR A 4 -2.126 7.702 -6.981 1.00 0.76 C ATOM 127 C THR A 4 -2.779 7.611 -5.611 1.00 0.71 C ATOM 128 O THR A 4 -3.741 6.862 -5.418 1.00 0.76 O ATOM 129 CB THR A 4 -2.510 9.048 -7.642 1.00 0.77 C ATOM 130 OG1 THR A 4 -3.937 9.174 -7.744 1.00 0.68 O ATOM 131 CG2 THR A 4 -1.892 9.182 -9.027 1.00 0.96 C ATOM 0 H THR A 4 -3.516 6.323 -7.710 1.00 0.74 H new ATOM 0 HA THR A 4 -1.040 7.676 -6.891 1.00 0.76 H new ATOM 0 HB THR A 4 -2.120 9.844 -7.007 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.343 8.282 -7.773 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.181 10.138 -9.464 1.00 0.96 H new ATOM 0 HG22 THR A 4 -0.806 9.133 -8.947 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.246 8.371 -9.663 1.00 0.96 H new ATOM 139 N LEU A 5 -2.250 8.359 -4.660 1.00 0.74 N ATOM 140 CA LEU A 5 -2.750 8.317 -3.298 1.00 0.77 C ATOM 141 C LEU A 5 -4.040 9.098 -3.144 1.00 0.67 C ATOM 142 O LEU A 5 -4.797 8.843 -2.217 1.00 0.73 O ATOM 143 CB LEU A 5 -1.717 8.871 -2.324 1.00 0.91 C ATOM 144 CG LEU A 5 -0.376 8.145 -2.301 1.00 1.02 C ATOM 145 CD1 LEU A 5 0.514 8.765 -1.244 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.567 6.657 -2.044 1.00 1.67 C ATOM 0 H LEU A 5 -1.473 9.004 -4.806 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.948 7.270 -3.070 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -1.539 9.918 -2.568 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -2.141 8.846 -1.320 1.00 0.91 H new ATOM 0 HG LEU A 5 0.101 8.250 -3.275 1.00 1.02 H new ATOM 0 HD11 LEU A 5 1.473 8.247 -1.226 1.00 1.67 H new ATOM 0 HD12 LEU A 5 0.674 9.818 -1.475 1.00 1.67 H new ATOM 0 HD13 LEU A 5 0.036 8.677 -0.268 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.404 6.162 -2.032 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -1.059 6.514 -1.082 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -1.184 6.228 -2.834 1.00 1.67 H new ATOM 158 N GLU A 6 -4.313 10.018 -4.065 1.00 0.60 N ATOM 159 CA GLU A 6 -5.645 10.603 -4.172 1.00 0.58 C ATOM 160 C GLU A 6 -6.604 9.472 -4.516 1.00 0.59 C ATOM 161 O GLU A 6 -7.628 9.341 -3.845 1.00 0.61 O ATOM 162 CB GLU A 6 -5.677 11.688 -5.251 1.00 0.62 C ATOM 163 CG GLU A 6 -4.670 12.805 -5.021 1.00 0.87 C ATOM 164 CD GLU A 6 -4.641 13.811 -6.154 1.00 1.35 C ATOM 165 OE1 GLU A 6 -3.900 13.588 -7.138 1.00 1.80 O ATOM 166 OE2 GLU A 6 -5.361 14.827 -6.069 1.00 1.68 O ATOM 0 H GLU A 6 -3.637 10.372 -4.742 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.932 11.079 -3.234 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.484 11.230 -6.221 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.678 12.116 -5.294 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.911 13.319 -4.091 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.677 12.373 -4.899 1.00 0.87 H new ATOM 173 N SER A 7 -6.315 8.666 -5.532 1.00 0.59 N ATOM 174 CA SER A 7 -7.186 7.553 -5.911 1.00 0.63 C ATOM 175 C SER A 7 -7.562 6.663 -4.718 1.00 0.62 C ATOM 176 O SER A 7 -8.617 6.029 -4.726 1.00 0.78 O ATOM 177 CB SER A 7 -6.501 6.698 -6.979 1.00 0.67 C ATOM 178 OG SER A 7 -5.971 7.507 -8.016 1.00 1.14 O ATOM 0 H SER A 7 -5.481 8.761 -6.112 1.00 0.59 H new ATOM 0 HA SER A 7 -8.106 7.989 -6.301 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.701 6.114 -6.524 1.00 0.67 H new ATOM 0 HB3 SER A 7 -7.216 5.989 -7.396 1.00 0.67 H new ATOM 0 HG SER A 7 -6.695 8.017 -8.435 1.00 1.14 H new ATOM 184 N SER A 8 -6.725 6.622 -3.685 1.00 0.53 N ATOM 185 CA SER A 8 -6.938 5.708 -2.575 1.00 0.52 C ATOM 186 C SER A 8 -7.618 6.333 -1.353 1.00 0.48 C ATOM 187 O SER A 8 -8.082 5.599 -0.484 1.00 0.48 O ATOM 188 CB SER A 8 -5.623 5.061 -2.164 1.00 0.57 C ATOM 189 OG SER A 8 -5.009 4.415 -3.267 1.00 1.02 O ATOM 0 H SER A 8 -5.897 7.210 -3.597 1.00 0.53 H new ATOM 0 HA SER A 8 -7.634 4.957 -2.949 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.951 5.819 -1.761 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.802 4.338 -1.368 1.00 0.57 H new ATOM 0 HG SER A 8 -4.483 3.652 -2.948 1.00 1.02 H new ATOM 195 N LEU A 9 -7.633 7.664 -1.250 1.00 0.47 N ATOM 196 CA LEU A 9 -7.994 8.352 -0.009 1.00 0.46 C ATOM 197 C LEU A 9 -9.278 7.885 0.670 1.00 0.46 C ATOM 198 O LEU A 9 -9.370 7.827 1.890 1.00 0.42 O ATOM 199 CB LEU A 9 -8.024 9.838 -0.256 1.00 0.49 C ATOM 200 CG LEU A 9 -6.669 10.393 -0.653 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.803 11.825 -1.091 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.669 10.239 0.490 1.00 0.78 C ATOM 0 H LEU A 9 -7.397 8.291 -2.019 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.217 8.086 0.707 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.746 10.057 -1.042 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -8.370 10.345 0.645 1.00 0.49 H new ATOM 0 HG LEU A 9 -6.284 9.822 -1.498 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.824 12.212 -1.373 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -7.476 11.882 -1.946 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -7.206 12.420 -0.271 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.703 10.643 0.186 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -6.030 10.781 1.364 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.559 9.183 0.737 1.00 0.78 H new ATOM 214 N ASP A 10 -10.265 7.575 -0.145 1.00 0.51 N ATOM 215 CA ASP A 10 -11.546 7.118 0.378 1.00 0.53 C ATOM 216 C ASP A 10 -11.677 5.618 0.268 1.00 0.54 C ATOM 217 O ASP A 10 -12.694 5.045 0.660 1.00 0.57 O ATOM 218 CB ASP A 10 -12.699 7.793 -0.363 1.00 0.57 C ATOM 219 CG ASP A 10 -12.789 9.273 -0.066 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.018 10.052 -0.667 1.00 1.32 O ATOM 221 OD2 ASP A 10 -13.629 9.670 0.766 1.00 0.77 O ATOM 0 H ASP A 10 -10.212 7.628 -1.162 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.589 7.392 1.432 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.572 7.648 -1.436 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.637 7.312 -0.085 1.00 0.57 H new ATOM 226 N THR A 11 -10.656 4.969 -0.257 1.00 0.54 N ATOM 227 CA THR A 11 -10.697 3.541 -0.431 1.00 0.56 C ATOM 228 C THR A 11 -9.537 2.846 0.288 1.00 0.53 C ATOM 229 O THR A 11 -9.583 2.596 1.488 1.00 0.53 O ATOM 230 CB THR A 11 -10.710 3.142 -1.926 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.636 3.791 -2.624 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.036 3.504 -2.577 1.00 0.69 C ATOM 0 H THR A 11 -9.792 5.412 -0.568 1.00 0.54 H new ATOM 0 HA THR A 11 -11.630 3.204 0.020 1.00 0.56 H new ATOM 0 HB THR A 11 -10.578 2.062 -1.985 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.654 3.529 -3.568 1.00 0.59 H new ATOM 0 HG21 THR A 11 -12.017 3.212 -3.627 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.846 2.980 -2.069 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.197 4.579 -2.502 1.00 0.69 H new ATOM 240 N HIS A 12 -8.500 2.537 -0.479 1.00 0.51 N ATOM 241 CA HIS A 12 -7.350 1.817 0.058 1.00 0.49 C ATOM 242 C HIS A 12 -6.660 2.594 1.190 1.00 0.43 C ATOM 243 O HIS A 12 -6.262 1.998 2.187 1.00 0.43 O ATOM 244 CB HIS A 12 -6.356 1.467 -1.051 1.00 0.49 C ATOM 245 CG HIS A 12 -6.999 0.838 -2.248 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.757 -0.310 -2.181 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.020 1.226 -3.542 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.217 -0.600 -3.384 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.783 0.316 -4.225 1.00 0.66 N ATOM 0 H HIS A 12 -8.430 2.771 -1.469 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.725 0.888 0.488 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.835 2.373 -1.361 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.603 0.787 -0.653 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -6.527 2.092 -3.960 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.842 -1.444 -3.635 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.983 0.343 -5.225 1.00 0.66 H new ATOM 258 N LEU A 13 -6.502 3.905 1.048 1.00 0.40 N ATOM 259 CA LEU A 13 -5.703 4.658 2.010 1.00 0.36 C ATOM 260 C LEU A 13 -6.555 5.501 2.955 1.00 0.34 C ATOM 261 O LEU A 13 -6.102 6.486 3.535 1.00 0.32 O ATOM 262 CB LEU A 13 -4.676 5.548 1.295 1.00 0.34 C ATOM 263 CG LEU A 13 -3.313 4.888 1.006 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.694 4.349 2.284 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.439 3.773 -0.019 1.00 0.84 C ATOM 0 H LEU A 13 -6.906 4.460 0.294 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.179 3.919 2.616 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.106 5.882 0.351 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.508 6.438 1.901 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.661 5.658 0.593 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.733 3.888 2.056 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.546 5.167 2.990 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.358 3.605 2.724 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.459 3.331 -0.198 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -4.119 3.008 0.357 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.830 4.179 -0.952 1.00 0.84 H new ATOM 277 N LYS A 14 -7.805 5.070 3.104 1.00 0.38 N ATOM 278 CA LYS A 14 -8.800 5.793 3.881 1.00 0.38 C ATOM 279 C LYS A 14 -8.506 5.734 5.378 1.00 0.35 C ATOM 280 O LYS A 14 -8.985 6.559 6.154 1.00 0.36 O ATOM 281 CB LYS A 14 -10.190 5.223 3.597 1.00 0.45 C ATOM 282 CG LYS A 14 -10.431 3.845 4.192 1.00 0.64 C ATOM 283 CD LYS A 14 -11.681 3.195 3.617 1.00 0.67 C ATOM 284 CE LYS A 14 -12.900 4.090 3.753 1.00 1.26 C ATOM 285 NZ LYS A 14 -14.122 3.453 3.199 1.00 1.69 N ATOM 0 H LYS A 14 -8.154 4.207 2.687 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.762 6.840 3.581 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.940 5.911 3.987 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.336 5.171 2.518 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.568 3.209 3.998 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.529 3.928 5.274 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -11.518 2.962 2.565 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.866 2.250 4.128 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -13.060 4.328 4.805 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.717 5.033 3.237 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -14.931 4.097 3.312 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -13.980 3.249 2.189 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.312 2.566 3.708 1.00 1.69 H new ATOM 299 N TRP A 15 -7.702 4.750 5.764 1.00 0.34 N ATOM 300 CA TRP A 15 -7.343 4.540 7.161 1.00 0.33 C ATOM 301 C TRP A 15 -6.311 5.568 7.615 1.00 0.29 C ATOM 302 O TRP A 15 -5.944 5.618 8.788 1.00 0.29 O ATOM 303 CB TRP A 15 -6.777 3.134 7.352 1.00 0.35 C ATOM 304 CG TRP A 15 -5.598 2.860 6.471 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.636 2.396 5.195 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.213 3.042 6.798 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.361 2.280 4.697 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.470 2.668 5.666 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.532 3.483 7.934 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.077 2.722 5.637 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.152 3.535 7.907 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.438 3.159 6.764 1.00 0.30 C ATOM 0 H TRP A 15 -7.283 4.079 5.121 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.244 4.655 7.764 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.485 3.003 8.394 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.557 2.402 7.145 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.537 2.154 4.651 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.117 1.958 3.760 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.075 3.779 8.819 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.523 2.430 4.757 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.616 3.871 8.782 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.359 3.215 6.772 1.00 0.30 H new ATOM 323 N LEU A 16 -5.837 6.384 6.683 1.00 0.28 N ATOM 324 CA LEU A 16 -4.982 7.503 7.028 1.00 0.26 C ATOM 325 C LEU A 16 -5.845 8.611 7.627 1.00 0.27 C ATOM 326 O LEU A 16 -6.978 8.842 7.207 1.00 0.31 O ATOM 327 CB LEU A 16 -4.237 8.033 5.793 1.00 0.25 C ATOM 328 CG LEU A 16 -3.230 7.077 5.133 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.757 7.653 3.809 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.025 6.820 6.032 1.00 0.30 C ATOM 0 H LEU A 16 -6.031 6.289 5.686 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.237 7.171 7.750 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.977 8.318 5.045 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.707 8.942 6.079 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.739 6.128 4.965 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.044 6.969 3.349 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.611 7.788 3.145 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.276 8.616 3.982 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.336 6.140 5.531 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.518 7.762 6.239 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.359 6.374 6.969 1.00 0.30 H new ATOM 342 N SER A 17 -5.272 9.288 8.599 1.00 0.27 N ATOM 343 CA SER A 17 -5.962 10.418 9.205 1.00 0.30 C ATOM 344 C SER A 17 -5.956 11.585 8.225 1.00 0.33 C ATOM 345 O SER A 17 -5.147 11.585 7.304 1.00 0.34 O ATOM 346 CB SER A 17 -5.302 10.810 10.527 1.00 0.31 C ATOM 347 OG SER A 17 -6.062 11.788 11.214 1.00 1.24 O ATOM 0 H SER A 17 -4.349 9.086 8.984 1.00 0.27 H new ATOM 0 HA SER A 17 -6.992 10.139 9.425 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.190 9.927 11.155 1.00 0.31 H new ATOM 0 HB3 SER A 17 -4.300 11.194 10.335 1.00 0.31 H new ATOM 0 HG SER A 17 -5.616 12.017 12.056 1.00 1.24 H new ATOM 353 N GLN A 18 -6.853 12.557 8.384 1.00 0.36 N ATOM 354 CA GLN A 18 -6.900 13.693 7.457 1.00 0.41 C ATOM 355 C GLN A 18 -5.528 14.346 7.366 1.00 0.41 C ATOM 356 O GLN A 18 -5.023 14.586 6.268 1.00 0.42 O ATOM 357 CB GLN A 18 -7.964 14.705 7.873 1.00 0.47 C ATOM 358 CG GLN A 18 -9.379 14.165 7.760 1.00 1.19 C ATOM 359 CD GLN A 18 -9.713 13.708 6.352 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.496 12.551 5.994 1.00 1.90 O ATOM 361 NE2 GLN A 18 -10.235 14.613 5.542 1.00 1.91 N ATOM 0 H GLN A 18 -7.547 12.585 9.131 1.00 0.36 H new ATOM 0 HA GLN A 18 -7.176 13.322 6.470 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -7.781 15.013 8.902 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.871 15.596 7.252 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -9.502 13.329 8.449 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -10.085 14.937 8.066 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -10.400 15.562 5.877 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -10.473 14.362 4.582 1.00 1.91 H new ATOM 370 N GLU A 19 -4.927 14.614 8.518 1.00 0.41 N ATOM 371 CA GLU A 19 -3.612 15.201 8.578 1.00 0.42 C ATOM 372 C GLU A 19 -2.601 14.331 7.833 1.00 0.40 C ATOM 373 O GLU A 19 -1.671 14.848 7.224 1.00 0.42 O ATOM 374 CB GLU A 19 -3.220 15.378 10.032 1.00 0.41 C ATOM 375 CG GLU A 19 -4.010 16.461 10.741 1.00 1.18 C ATOM 376 CD GLU A 19 -3.695 16.537 12.216 1.00 1.79 C ATOM 377 OE1 GLU A 19 -2.542 16.860 12.563 1.00 2.01 O ATOM 378 OE2 GLU A 19 -4.596 16.259 13.035 1.00 2.49 O ATOM 0 H GLU A 19 -5.343 14.428 9.430 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.621 16.176 8.091 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.362 14.433 10.556 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -2.158 15.618 10.088 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.796 17.424 10.277 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -5.076 16.273 10.610 1.00 1.18 H new ATOM 385 N GLN A 20 -2.788 13.016 7.880 1.00 0.37 N ATOM 386 CA GLN A 20 -1.906 12.100 7.169 1.00 0.36 C ATOM 387 C GLN A 20 -2.197 12.165 5.674 1.00 0.38 C ATOM 388 O GLN A 20 -1.278 12.269 4.877 1.00 0.41 O ATOM 389 CB GLN A 20 -2.073 10.670 7.687 1.00 0.33 C ATOM 390 CG GLN A 20 -1.772 10.523 9.169 1.00 0.37 C ATOM 391 CD GLN A 20 -1.971 9.108 9.666 1.00 0.77 C ATOM 392 OE1 GLN A 20 -3.062 8.726 10.081 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.917 8.321 9.640 1.00 1.04 N ATOM 0 H GLN A 20 -3.539 12.563 8.401 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.873 12.400 7.345 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -3.095 10.340 7.497 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.415 10.009 7.123 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.743 10.830 9.359 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.415 11.197 9.735 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.026 8.673 9.288 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -0.990 7.359 9.971 1.00 1.04 H new ATOM 402 N LYS A 21 -3.473 12.110 5.295 1.00 0.38 N ATOM 403 CA LYS A 21 -3.855 12.234 3.887 1.00 0.42 C ATOM 404 C LYS A 21 -3.232 13.495 3.302 1.00 0.42 C ATOM 405 O LYS A 21 -2.590 13.462 2.257 1.00 0.43 O ATOM 406 CB LYS A 21 -5.378 12.307 3.725 1.00 0.47 C ATOM 407 CG LYS A 21 -6.131 11.056 4.155 1.00 0.56 C ATOM 408 CD LYS A 21 -7.580 11.119 3.693 1.00 0.54 C ATOM 409 CE LYS A 21 -8.381 9.890 4.105 1.00 0.57 C ATOM 410 NZ LYS A 21 -8.752 9.907 5.547 1.00 0.95 N ATOM 0 H LYS A 21 -4.255 11.981 5.937 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.494 11.351 3.360 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.750 13.153 4.303 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.608 12.510 2.679 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.648 10.173 3.737 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -6.093 10.957 5.240 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -8.051 12.011 4.107 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.607 11.219 2.608 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -9.287 9.831 3.501 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.798 8.993 3.894 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.471 9.178 5.729 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -7.909 9.714 6.125 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.136 10.841 5.796 1.00 0.95 H new ATOM 424 N ASP A 22 -3.411 14.588 4.025 1.00 0.44 N ATOM 425 CA ASP A 22 -2.856 15.885 3.658 1.00 0.46 C ATOM 426 C ASP A 22 -1.330 15.873 3.703 1.00 0.46 C ATOM 427 O ASP A 22 -0.693 16.484 2.851 1.00 0.48 O ATOM 428 CB ASP A 22 -3.378 16.941 4.637 1.00 0.49 C ATOM 429 CG ASP A 22 -2.748 18.304 4.433 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.180 19.025 3.506 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.810 18.653 5.178 1.00 0.64 O ATOM 0 H ASP A 22 -3.950 14.603 4.891 1.00 0.44 H new ATOM 0 HA ASP A 22 -3.164 16.116 2.638 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.459 17.027 4.527 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -3.187 16.608 5.657 1.00 0.49 H new ATOM 436 N GLU A 23 -0.737 15.169 4.654 1.00 0.44 N ATOM 437 CA GLU A 23 0.694 14.973 4.669 1.00 0.45 C ATOM 438 C GLU A 23 1.163 14.263 3.400 1.00 0.42 C ATOM 439 O GLU A 23 2.102 14.720 2.745 1.00 0.44 O ATOM 440 CB GLU A 23 1.095 14.177 5.902 1.00 0.47 C ATOM 441 CG GLU A 23 2.453 14.573 6.394 1.00 0.71 C ATOM 442 CD GLU A 23 2.838 13.941 7.713 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.457 14.476 8.774 1.00 1.43 O ATOM 444 OE2 GLU A 23 3.507 12.886 7.697 1.00 1.40 O ATOM 0 H GLU A 23 -1.232 14.724 5.427 1.00 0.44 H new ATOM 0 HA GLU A 23 1.176 15.950 4.704 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.361 14.334 6.692 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.088 13.113 5.667 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.194 14.301 5.642 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.488 15.657 6.498 1.00 0.71 H new ATOM 451 N LEU A 24 0.521 13.159 3.044 1.00 0.40 N ATOM 452 CA LEU A 24 0.874 12.400 1.852 1.00 0.39 C ATOM 453 C LEU A 24 0.634 13.239 0.594 1.00 0.39 C ATOM 454 O LEU A 24 1.408 13.180 -0.360 1.00 0.41 O ATOM 455 CB LEU A 24 0.050 11.107 1.795 1.00 0.38 C ATOM 456 CG LEU A 24 0.483 9.965 2.740 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.644 9.183 2.170 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.860 10.469 4.119 1.00 1.33 C ATOM 0 H LEU A 24 -0.258 12.765 3.572 1.00 0.40 H new ATOM 0 HA LEU A 24 1.933 12.144 1.898 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.988 11.355 2.015 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.078 10.731 0.772 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.385 9.312 2.833 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.922 8.388 2.862 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.355 8.747 1.214 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.494 9.849 2.023 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.157 9.628 4.745 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.690 11.170 4.036 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.004 10.972 4.569 1.00 1.33 H new ATOM 470 N LEU A 25 -0.446 14.017 0.607 1.00 0.40 N ATOM 471 CA LEU A 25 -0.764 14.920 -0.493 1.00 0.43 C ATOM 472 C LEU A 25 0.313 15.986 -0.655 1.00 0.46 C ATOM 473 O LEU A 25 0.716 16.299 -1.773 1.00 0.48 O ATOM 474 CB LEU A 25 -2.127 15.578 -0.272 1.00 0.45 C ATOM 475 CG LEU A 25 -3.324 14.628 -0.363 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.616 15.369 -0.058 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.390 13.982 -1.737 1.00 1.06 C ATOM 0 H LEU A 25 -1.119 14.039 1.373 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.803 14.330 -1.409 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -2.131 16.051 0.710 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.255 16.372 -1.008 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.196 13.841 0.380 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.457 14.678 -0.127 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.569 15.783 0.949 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.750 16.177 -0.777 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -4.247 13.310 -1.782 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.494 14.755 -2.498 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.476 13.416 -1.917 1.00 1.06 H new ATOM 489 N LYS A 26 0.787 16.527 0.461 1.00 0.47 N ATOM 490 CA LYS A 26 1.845 17.530 0.438 1.00 0.51 C ATOM 491 C LYS A 26 3.133 16.917 -0.082 1.00 0.49 C ATOM 492 O LYS A 26 3.837 17.520 -0.891 1.00 0.51 O ATOM 493 CB LYS A 26 2.075 18.119 1.833 1.00 0.56 C ATOM 494 CG LYS A 26 0.918 18.957 2.350 1.00 0.93 C ATOM 495 CD LYS A 26 0.643 20.150 1.451 1.00 1.62 C ATOM 496 CE LYS A 26 -0.428 21.054 2.033 1.00 2.50 C ATOM 497 NZ LYS A 26 -0.705 22.224 1.161 1.00 3.24 N ATOM 0 H LYS A 26 0.455 16.287 1.395 1.00 0.47 H new ATOM 0 HA LYS A 26 1.534 18.335 -0.227 1.00 0.51 H new ATOM 0 HB2 LYS A 26 2.262 17.305 2.533 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.975 18.734 1.812 1.00 0.56 H new ATOM 0 HG2 LYS A 26 0.023 18.339 2.418 1.00 0.93 H new ATOM 0 HG3 LYS A 26 1.143 19.305 3.358 1.00 0.93 H new ATOM 0 HD2 LYS A 26 1.562 20.719 1.309 1.00 1.62 H new ATOM 0 HD3 LYS A 26 0.329 19.800 0.467 1.00 1.62 H new ATOM 0 HE2 LYS A 26 -1.346 20.483 2.176 1.00 2.50 H new ATOM 0 HE3 LYS A 26 -0.113 21.402 3.017 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 -1.442 22.815 1.596 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 0.164 22.784 1.045 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 -1.031 21.894 0.230 1.00 3.24 H new ATOM 511 N MET A 27 3.427 15.713 0.383 1.00 0.47 N ATOM 512 CA MET A 27 4.582 14.968 -0.099 1.00 0.47 C ATOM 513 C MET A 27 4.539 14.786 -1.613 1.00 0.47 C ATOM 514 O MET A 27 5.471 15.173 -2.320 1.00 0.49 O ATOM 515 CB MET A 27 4.649 13.607 0.589 1.00 0.49 C ATOM 516 CG MET A 27 5.057 13.678 2.049 1.00 0.50 C ATOM 517 SD MET A 27 6.833 13.484 2.289 1.00 0.92 S ATOM 518 CE MET A 27 7.052 11.801 1.726 1.00 0.79 C ATOM 0 H MET A 27 2.881 15.229 1.096 1.00 0.47 H new ATOM 0 HA MET A 27 5.476 15.542 0.143 1.00 0.47 H new ATOM 0 HB2 MET A 27 3.674 13.126 0.517 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.357 12.974 0.054 1.00 0.49 H new ATOM 0 HG2 MET A 27 4.742 14.636 2.463 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.533 12.901 2.606 1.00 0.50 H new ATOM 0 HE1 MET A 27 7.928 11.367 2.208 1.00 0.79 H new ATOM 0 HE2 MET A 27 6.169 11.214 1.981 1.00 0.79 H new ATOM 0 HE3 MET A 27 7.192 11.794 0.645 1.00 0.79 H new ATOM 528 N LYS A 28 3.447 14.211 -2.105 1.00 0.45 N ATOM 529 CA LYS A 28 3.280 13.956 -3.531 1.00 0.49 C ATOM 530 C LYS A 28 3.335 15.262 -4.326 1.00 0.54 C ATOM 531 O LYS A 28 3.942 15.326 -5.397 1.00 0.58 O ATOM 532 CB LYS A 28 1.939 13.258 -3.774 1.00 0.50 C ATOM 533 CG LYS A 28 1.843 12.546 -5.115 1.00 0.79 C ATOM 534 CD LYS A 28 2.774 11.342 -5.175 1.00 1.41 C ATOM 535 CE LYS A 28 2.598 10.551 -6.465 1.00 1.82 C ATOM 536 NZ LYS A 28 2.879 11.372 -7.671 1.00 2.44 N ATOM 0 H LYS A 28 2.659 13.911 -1.532 1.00 0.45 H new ATOM 0 HA LYS A 28 4.094 13.313 -3.867 1.00 0.49 H new ATOM 0 HB2 LYS A 28 1.769 12.534 -2.977 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.140 13.997 -3.709 1.00 0.50 H new ATOM 0 HG2 LYS A 28 0.816 12.222 -5.284 1.00 0.79 H new ATOM 0 HG3 LYS A 28 2.093 13.241 -5.916 1.00 0.79 H new ATOM 0 HD2 LYS A 28 3.808 11.678 -5.094 1.00 1.41 H new ATOM 0 HD3 LYS A 28 2.582 10.692 -4.321 1.00 1.41 H new ATOM 0 HE2 LYS A 28 3.263 9.687 -6.453 1.00 1.82 H new ATOM 0 HE3 LYS A 28 1.579 10.168 -6.518 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 2.879 10.762 -8.514 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 2.146 12.102 -7.772 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 3.809 11.827 -7.572 1.00 2.44 H new ATOM 550 N LYS A 29 2.716 16.303 -3.772 1.00 0.55 N ATOM 551 CA LYS A 29 2.680 17.616 -4.411 1.00 0.62 C ATOM 552 C LYS A 29 4.069 18.241 -4.507 1.00 0.64 C ATOM 553 O LYS A 29 4.447 18.757 -5.557 1.00 0.72 O ATOM 554 CB LYS A 29 1.748 18.557 -3.644 1.00 0.62 C ATOM 555 CG LYS A 29 1.659 19.959 -4.237 1.00 1.13 C ATOM 556 CD LYS A 29 0.955 19.969 -5.586 1.00 1.57 C ATOM 557 CE LYS A 29 -0.515 19.612 -5.453 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.227 19.687 -6.753 1.00 2.69 N ATOM 0 H LYS A 29 2.230 16.261 -2.876 1.00 0.55 H new ATOM 0 HA LYS A 29 2.303 17.471 -5.423 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.749 18.121 -3.617 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.092 18.631 -2.612 1.00 0.62 H new ATOM 0 HG2 LYS A 29 1.125 20.611 -3.546 1.00 1.13 H new ATOM 0 HG3 LYS A 29 2.663 20.368 -4.350 1.00 1.13 H new ATOM 0 HD2 LYS A 29 1.051 20.956 -6.039 1.00 1.57 H new ATOM 0 HD3 LYS A 29 1.442 19.261 -6.257 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -0.608 18.605 -5.047 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.989 20.288 -4.741 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.227 19.436 -6.616 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.161 20.654 -7.129 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -0.792 19.024 -7.426 1.00 2.69 H new ATOM 572 N ASP A 30 4.834 18.180 -3.424 1.00 0.62 N ATOM 573 CA ASP A 30 6.123 18.870 -3.367 1.00 0.66 C ATOM 574 C ASP A 30 7.210 18.137 -4.144 1.00 0.65 C ATOM 575 O ASP A 30 8.389 18.491 -4.090 1.00 0.69 O ATOM 576 CB ASP A 30 6.574 19.091 -1.918 1.00 0.67 C ATOM 577 CG ASP A 30 5.971 20.339 -1.306 1.00 1.33 C ATOM 578 OD1 ASP A 30 6.267 21.450 -1.803 1.00 1.32 O ATOM 579 OD2 ASP A 30 5.207 20.225 -0.327 1.00 2.14 O ATOM 0 H ASP A 30 4.590 17.665 -2.578 1.00 0.62 H new ATOM 0 HA ASP A 30 5.971 19.839 -3.842 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.295 18.225 -1.318 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.661 19.164 -1.886 1.00 0.67 H new ATOM 584 N GLY A 31 6.782 17.115 -4.871 1.00 0.62 N ATOM 585 CA GLY A 31 7.663 16.460 -5.808 1.00 0.62 C ATOM 586 C GLY A 31 8.468 15.365 -5.169 1.00 0.61 C ATOM 587 O GLY A 31 9.527 14.987 -5.676 1.00 0.63 O ATOM 0 H GLY A 31 5.839 16.729 -4.827 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.075 16.044 -6.626 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.338 17.197 -6.243 1.00 0.62 H new ATOM 591 N LYS A 32 7.982 14.863 -4.044 1.00 0.59 N ATOM 592 CA LYS A 32 8.585 13.705 -3.430 1.00 0.58 C ATOM 593 C LYS A 32 8.355 12.507 -4.332 1.00 0.56 C ATOM 594 O LYS A 32 7.345 12.427 -5.040 1.00 0.55 O ATOM 595 CB LYS A 32 8.007 13.443 -2.036 1.00 0.57 C ATOM 596 CG LYS A 32 8.286 14.548 -1.028 1.00 0.63 C ATOM 597 CD LYS A 32 9.776 14.794 -0.857 1.00 0.76 C ATOM 598 CE LYS A 32 10.053 15.819 0.232 1.00 1.15 C ATOM 599 NZ LYS A 32 9.697 15.313 1.586 1.00 1.65 N ATOM 0 H LYS A 32 7.177 15.241 -3.545 1.00 0.59 H new ATOM 0 HA LYS A 32 9.653 13.883 -3.306 1.00 0.58 H new ATOM 0 HB2 LYS A 32 6.929 13.308 -2.121 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.416 12.507 -1.655 1.00 0.57 H new ATOM 0 HG2 LYS A 32 7.801 15.468 -1.354 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.849 14.281 -0.066 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.274 13.856 -0.610 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.199 15.141 -1.800 1.00 0.76 H new ATOM 0 HE2 LYS A 32 11.109 16.090 0.213 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.487 16.728 0.025 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 9.934 16.032 2.299 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 8.678 15.111 1.624 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 10.230 14.442 1.782 1.00 1.65 H new ATOM 613 N ALA A 33 9.295 11.598 -4.319 1.00 0.56 N ATOM 614 CA ALA A 33 9.215 10.405 -5.140 1.00 0.55 C ATOM 615 C ALA A 33 8.169 9.460 -4.584 1.00 0.52 C ATOM 616 O ALA A 33 7.961 9.427 -3.378 1.00 0.50 O ATOM 617 CB ALA A 33 10.561 9.709 -5.215 1.00 0.59 C ATOM 0 H ALA A 33 10.136 11.657 -3.744 1.00 0.56 H new ATOM 0 HA ALA A 33 8.927 10.702 -6.149 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.475 8.817 -5.836 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.297 10.385 -5.650 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.879 9.424 -4.212 1.00 0.59 H new ATOM 623 N LYS A 34 7.521 8.699 -5.453 1.00 0.53 N ATOM 624 CA LYS A 34 6.510 7.731 -5.030 1.00 0.51 C ATOM 625 C LYS A 34 7.057 6.836 -3.914 1.00 0.51 C ATOM 626 O LYS A 34 6.345 6.498 -2.973 1.00 0.48 O ATOM 627 CB LYS A 34 6.071 6.894 -6.234 1.00 0.56 C ATOM 628 CG LYS A 34 5.123 5.758 -5.898 1.00 1.21 C ATOM 629 CD LYS A 34 4.594 5.093 -7.157 1.00 1.64 C ATOM 630 CE LYS A 34 4.048 3.705 -6.870 1.00 2.21 C ATOM 631 NZ LYS A 34 5.131 2.767 -6.477 1.00 2.97 N ATOM 0 H LYS A 34 7.675 8.731 -6.461 1.00 0.53 H new ATOM 0 HA LYS A 34 5.645 8.264 -4.636 1.00 0.51 H new ATOM 0 HB2 LYS A 34 5.590 7.549 -6.960 1.00 0.56 H new ATOM 0 HB3 LYS A 34 6.957 6.481 -6.716 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.639 5.020 -5.283 1.00 1.21 H new ATOM 0 HG3 LYS A 34 4.290 6.139 -5.307 1.00 1.21 H new ATOM 0 HD2 LYS A 34 3.808 5.711 -7.593 1.00 1.64 H new ATOM 0 HD3 LYS A 34 5.392 5.025 -7.896 1.00 1.64 H new ATOM 0 HE2 LYS A 34 3.307 3.762 -6.073 1.00 2.21 H new ATOM 0 HE3 LYS A 34 3.537 3.323 -7.754 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 4.719 1.947 -5.987 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 5.636 2.445 -7.327 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 5.797 3.252 -5.842 1.00 2.97 H new ATOM 645 N LYS A 35 8.333 6.493 -4.009 1.00 0.54 N ATOM 646 CA LYS A 35 8.989 5.652 -3.013 1.00 0.56 C ATOM 647 C LYS A 35 9.034 6.326 -1.636 1.00 0.53 C ATOM 648 O LYS A 35 9.221 5.659 -0.620 1.00 0.55 O ATOM 649 CB LYS A 35 10.404 5.330 -3.480 1.00 0.61 C ATOM 650 CG LYS A 35 10.967 4.036 -2.911 1.00 1.17 C ATOM 651 CD LYS A 35 10.064 2.845 -3.216 1.00 1.56 C ATOM 652 CE LYS A 35 9.664 2.795 -4.686 1.00 2.18 C ATOM 653 NZ LYS A 35 10.836 2.678 -5.592 1.00 2.82 N ATOM 0 H LYS A 35 8.942 6.787 -4.773 1.00 0.54 H new ATOM 0 HA LYS A 35 8.410 4.735 -2.909 1.00 0.56 H new ATOM 0 HB2 LYS A 35 10.411 5.269 -4.568 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.063 6.153 -3.203 1.00 0.61 H new ATOM 0 HG2 LYS A 35 11.958 3.857 -3.327 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.087 4.135 -1.832 1.00 1.17 H new ATOM 0 HD2 LYS A 35 10.578 1.922 -2.948 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.168 2.901 -2.598 1.00 1.56 H new ATOM 0 HE2 LYS A 35 8.997 1.948 -4.849 1.00 2.18 H new ATOM 0 HE3 LYS A 35 9.103 3.695 -4.937 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 10.508 2.614 -6.577 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 11.444 3.515 -5.483 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 11.377 1.823 -5.351 1.00 2.82 H new ATOM 667 N GLU A 36 8.864 7.638 -1.604 1.00 0.51 N ATOM 668 CA GLU A 36 8.888 8.387 -0.353 1.00 0.50 C ATOM 669 C GLU A 36 7.492 8.409 0.270 1.00 0.44 C ATOM 670 O GLU A 36 7.302 8.550 1.479 1.00 0.45 O ATOM 671 CB GLU A 36 9.409 9.801 -0.607 1.00 0.53 C ATOM 672 CG GLU A 36 10.743 9.797 -1.331 1.00 0.61 C ATOM 673 CD GLU A 36 11.345 11.177 -1.499 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.736 11.787 -0.483 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.419 11.660 -2.646 1.00 0.66 O ATOM 0 H GLU A 36 8.707 8.211 -2.433 1.00 0.51 H new ATOM 0 HA GLU A 36 9.561 7.900 0.352 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.679 10.355 -1.197 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.515 10.324 0.343 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.444 9.168 -0.781 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.612 9.344 -2.314 1.00 0.61 H new ATOM 682 N LEU A 37 6.533 8.220 -0.626 1.00 0.39 N ATOM 683 CA LEU A 37 5.160 7.999 -0.232 1.00 0.36 C ATOM 684 C LEU A 37 4.976 6.572 0.262 1.00 0.36 C ATOM 685 O LEU A 37 4.322 6.328 1.277 1.00 0.35 O ATOM 686 CB LEU A 37 4.252 8.275 -1.423 1.00 0.37 C ATOM 687 CG LEU A 37 4.108 9.746 -1.830 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.478 10.551 -0.712 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.430 10.375 -2.231 1.00 1.01 C ATOM 0 H LEU A 37 6.688 8.216 -1.634 1.00 0.39 H new ATOM 0 HA LEU A 37 4.900 8.674 0.584 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.629 7.717 -2.280 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.261 7.882 -1.198 1.00 0.37 H new ATOM 0 HG LEU A 37 3.458 9.762 -2.705 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.385 11.592 -1.021 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.490 10.150 -0.487 1.00 1.22 H new ATOM 0 HD13 LEU A 37 4.105 10.491 0.177 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.268 11.416 -2.509 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.125 10.327 -1.392 1.00 1.01 H new ATOM 0 HD23 LEU A 37 5.848 9.834 -3.080 1.00 1.01 H new ATOM 701 N GLU A 38 5.599 5.639 -0.449 1.00 0.39 N ATOM 702 CA GLU A 38 5.594 4.228 -0.073 1.00 0.43 C ATOM 703 C GLU A 38 6.378 4.012 1.210 1.00 0.43 C ATOM 704 O GLU A 38 6.251 2.991 1.865 1.00 0.45 O ATOM 705 CB GLU A 38 6.158 3.371 -1.201 1.00 0.57 C ATOM 706 CG GLU A 38 5.280 3.377 -2.437 1.00 1.35 C ATOM 707 CD GLU A 38 5.899 2.642 -3.600 1.00 2.06 C ATOM 708 OE1 GLU A 38 6.658 3.263 -4.369 1.00 2.72 O ATOM 709 OE2 GLU A 38 5.655 1.428 -3.733 1.00 2.49 O ATOM 0 H GLU A 38 6.122 5.838 -1.302 1.00 0.39 H new ATOM 0 HA GLU A 38 4.562 3.924 0.104 1.00 0.43 H new ATOM 0 HB2 GLU A 38 7.152 3.733 -1.465 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.275 2.346 -0.849 1.00 0.57 H new ATOM 0 HG2 GLU A 38 4.319 2.922 -2.196 1.00 1.35 H new ATOM 0 HG3 GLU A 38 5.080 4.408 -2.730 1.00 1.35 H new ATOM 716 N ALA A 39 7.168 5.001 1.572 1.00 0.43 N ATOM 717 CA ALA A 39 7.943 4.950 2.797 1.00 0.45 C ATOM 718 C ALA A 39 7.185 5.524 3.979 1.00 0.42 C ATOM 719 O ALA A 39 7.207 4.975 5.081 1.00 0.44 O ATOM 720 CB ALA A 39 9.267 5.680 2.618 1.00 0.49 C ATOM 0 H ALA A 39 7.292 5.857 1.031 1.00 0.43 H new ATOM 0 HA ALA A 39 8.136 3.899 3.012 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.837 5.633 3.546 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.837 5.208 1.818 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.076 6.722 2.362 1.00 0.49 H new ATOM 726 N LYS A 40 6.496 6.626 3.718 1.00 0.39 N ATOM 727 CA LYS A 40 5.612 7.249 4.691 1.00 0.37 C ATOM 728 C LYS A 40 4.510 6.277 5.111 1.00 0.31 C ATOM 729 O LYS A 40 4.279 6.065 6.303 1.00 0.31 O ATOM 730 CB LYS A 40 4.996 8.507 4.081 1.00 0.41 C ATOM 731 CG LYS A 40 4.075 9.252 5.027 1.00 0.79 C ATOM 732 CD LYS A 40 4.843 9.966 6.123 1.00 0.64 C ATOM 733 CE LYS A 40 5.450 11.267 5.622 1.00 0.74 C ATOM 734 NZ LYS A 40 5.901 12.132 6.741 1.00 1.34 N ATOM 0 H LYS A 40 6.535 7.114 2.823 1.00 0.39 H new ATOM 0 HA LYS A 40 6.188 7.518 5.576 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.796 9.176 3.764 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.438 8.231 3.186 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.487 9.977 4.464 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.371 8.551 5.475 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.176 10.173 6.960 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.633 9.315 6.498 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.295 11.046 4.970 1.00 0.74 H new ATOM 0 HE3 LYS A 40 4.715 11.803 5.021 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 6.605 12.813 6.392 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.086 12.647 7.132 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 6.328 11.543 7.485 1.00 1.34 H new ATOM 748 N ILE A 41 3.840 5.687 4.125 1.00 0.29 N ATOM 749 CA ILE A 41 2.745 4.771 4.381 1.00 0.26 C ATOM 750 C ILE A 41 3.220 3.504 5.084 1.00 0.27 C ATOM 751 O ILE A 41 2.581 3.047 6.023 1.00 0.27 O ATOM 752 CB ILE A 41 2.027 4.408 3.072 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.411 5.665 2.469 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.965 3.348 3.313 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.826 5.451 1.097 1.00 0.39 C ATOM 0 H ILE A 41 4.042 5.832 3.136 1.00 0.29 H new ATOM 0 HA ILE A 41 2.045 5.280 5.044 1.00 0.26 H new ATOM 0 HB ILE A 41 2.752 3.994 2.371 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.630 6.032 3.135 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.173 6.442 2.413 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.471 3.108 2.372 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.432 2.450 3.717 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.229 3.725 4.023 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.406 6.388 0.731 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.608 5.113 0.417 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.041 4.697 1.150 1.00 0.39 H new ATOM 767 N LEU A 42 4.340 2.945 4.638 1.00 0.31 N ATOM 768 CA LEU A 42 4.881 1.741 5.268 1.00 0.35 C ATOM 769 C LEU A 42 5.264 2.002 6.719 1.00 0.35 C ATOM 770 O LEU A 42 5.107 1.140 7.582 1.00 0.38 O ATOM 771 CB LEU A 42 6.117 1.221 4.528 1.00 0.39 C ATOM 772 CG LEU A 42 5.866 0.539 3.181 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.155 -0.073 2.662 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.783 -0.523 3.286 1.00 0.40 C ATOM 0 H LEU A 42 4.887 3.299 3.853 1.00 0.31 H new ATOM 0 HA LEU A 42 4.092 0.990 5.224 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.796 2.058 4.366 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.632 0.514 5.178 1.00 0.39 H new ATOM 0 HG LEU A 42 5.519 1.297 2.479 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.968 -0.556 1.703 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.903 0.709 2.534 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.520 -0.812 3.376 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.632 -0.986 2.311 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.087 -1.283 4.005 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.852 -0.062 3.617 1.00 0.40 H new ATOM 786 N HIS A 43 5.754 3.209 6.974 1.00 0.35 N ATOM 787 CA HIS A 43 6.060 3.638 8.332 1.00 0.37 C ATOM 788 C HIS A 43 4.789 3.650 9.184 1.00 0.35 C ATOM 789 O HIS A 43 4.785 3.133 10.297 1.00 0.40 O ATOM 790 CB HIS A 43 6.708 5.025 8.315 1.00 0.40 C ATOM 791 CG HIS A 43 7.229 5.470 9.647 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.847 6.648 10.251 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.126 4.897 10.478 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.489 6.778 11.396 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.270 5.728 11.559 1.00 0.92 N ATOM 0 H HIS A 43 5.948 3.908 6.257 1.00 0.35 H new ATOM 0 HA HIS A 43 6.764 2.932 8.773 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.529 5.023 7.598 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.977 5.752 7.961 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.636 3.958 10.320 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.391 7.605 12.084 1.00 0.93 H new ATOM 0 HE2 HIS A 43 8.881 5.561 12.358 1.00 0.92 H new ATOM 804 N TYR A 44 3.710 4.241 8.653 1.00 0.30 N ATOM 805 CA TYR A 44 2.418 4.209 9.330 1.00 0.30 C ATOM 806 C TYR A 44 1.965 2.773 9.525 1.00 0.32 C ATOM 807 O TYR A 44 1.589 2.361 10.623 1.00 0.40 O ATOM 808 CB TYR A 44 1.362 4.936 8.500 1.00 0.31 C ATOM 809 CG TYR A 44 1.581 6.416 8.383 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.183 7.121 9.408 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.217 7.100 7.235 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.411 8.474 9.300 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.447 8.451 7.114 1.00 0.50 C ATOM 814 CZ TYR A 44 1.925 9.157 8.176 1.00 0.58 C ATOM 815 OH TYR A 44 2.295 10.480 8.033 1.00 0.68 O ATOM 0 H TYR A 44 3.711 4.742 7.764 1.00 0.30 H new ATOM 0 HA TYR A 44 2.533 4.701 10.296 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.341 4.503 7.500 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.382 4.759 8.944 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.479 6.602 10.308 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.746 6.565 6.423 1.00 0.40 H new ATOM 0 HE1 TYR A 44 2.956 9.001 10.069 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.249 8.951 6.178 1.00 0.50 H new ATOM 0 HH TYR A 44 1.897 10.845 7.215 1.00 0.68 H new ATOM 825 N TYR A 45 2.023 2.035 8.428 1.00 0.30 N ATOM 826 CA TYR A 45 1.593 0.653 8.356 1.00 0.33 C ATOM 827 C TYR A 45 2.226 -0.194 9.457 1.00 0.40 C ATOM 828 O TYR A 45 1.530 -0.919 10.170 1.00 0.42 O ATOM 829 CB TYR A 45 1.968 0.115 6.969 1.00 0.35 C ATOM 830 CG TYR A 45 1.592 -1.312 6.718 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.265 -1.694 6.753 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.553 -2.271 6.461 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.103 -2.999 6.536 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.199 -3.584 6.241 1.00 0.54 C ATOM 835 CZ TYR A 45 0.932 -3.953 6.227 1.00 0.53 C ATOM 836 OH TYR A 45 0.490 -5.248 6.058 1.00 0.58 O ATOM 0 H TYR A 45 2.380 2.392 7.542 1.00 0.30 H new ATOM 0 HA TYR A 45 0.515 0.599 8.506 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.490 0.739 6.213 1.00 0.35 H new ATOM 0 HB3 TYR A 45 3.045 0.220 6.835 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.496 -0.954 6.954 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.595 -1.988 6.432 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.138 -3.302 6.595 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.970 -4.322 6.078 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.304 -5.398 6.613 1.00 0.58 H new ATOM 846 N ASP A 46 3.535 -0.082 9.620 1.00 0.43 N ATOM 847 CA ASP A 46 4.248 -0.933 10.566 1.00 0.51 C ATOM 848 C ASP A 46 4.035 -0.468 12.009 1.00 0.53 C ATOM 849 O ASP A 46 4.279 -1.220 12.953 1.00 0.60 O ATOM 850 CB ASP A 46 5.741 -0.985 10.227 1.00 0.58 C ATOM 851 CG ASP A 46 6.452 -2.140 10.909 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.364 -3.285 10.415 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.103 -1.908 11.949 1.00 1.14 O ATOM 0 H ASP A 46 4.123 0.582 9.116 1.00 0.43 H new ATOM 0 HA ASP A 46 3.839 -1.940 10.480 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.862 -1.074 9.147 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.211 -0.047 10.524 1.00 0.58 H new ATOM 858 N GLU A 47 3.555 0.756 12.190 1.00 0.49 N ATOM 859 CA GLU A 47 3.281 1.267 13.525 1.00 0.51 C ATOM 860 C GLU A 47 1.812 1.061 13.899 1.00 0.49 C ATOM 861 O GLU A 47 1.390 1.420 14.998 1.00 0.58 O ATOM 862 CB GLU A 47 3.620 2.751 13.616 1.00 0.53 C ATOM 863 CG GLU A 47 5.100 3.059 13.498 1.00 1.21 C ATOM 864 CD GLU A 47 5.416 4.488 13.882 1.00 1.73 C ATOM 865 OE1 GLU A 47 5.122 5.406 13.087 1.00 2.22 O ATOM 866 OE2 GLU A 47 5.955 4.703 14.988 1.00 2.21 O ATOM 0 H GLU A 47 3.349 1.409 11.434 1.00 0.49 H new ATOM 0 HA GLU A 47 3.907 0.712 14.223 1.00 0.51 H new ATOM 0 HB2 GLU A 47 3.086 3.283 12.829 1.00 0.53 H new ATOM 0 HB3 GLU A 47 3.255 3.138 14.567 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.663 2.379 14.137 1.00 1.21 H new ATOM 0 HG3 GLU A 47 5.427 2.878 12.474 1.00 1.21 H new ATOM 873 N LEU A 48 1.039 0.493 12.982 1.00 0.44 N ATOM 874 CA LEU A 48 -0.381 0.330 13.168 1.00 0.46 C ATOM 875 C LEU A 48 -0.728 -0.606 14.304 1.00 0.69 C ATOM 876 O LEU A 48 -0.003 -1.551 14.629 1.00 1.11 O ATOM 877 CB LEU A 48 -1.029 -0.175 11.892 1.00 0.37 C ATOM 878 CG LEU A 48 -1.262 0.878 10.821 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.886 0.233 9.612 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.157 1.985 11.347 1.00 0.47 C ATOM 0 H LEU A 48 1.387 0.136 12.092 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.768 1.316 13.425 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.403 -0.963 11.473 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -1.987 -0.630 12.146 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.305 1.319 10.542 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.054 0.987 8.843 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.219 -0.537 9.225 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.838 -0.218 9.891 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.312 2.729 10.566 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.118 1.565 11.645 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.684 2.456 12.209 1.00 0.47 H new ATOM 892 N GLU A 49 -1.858 -0.290 14.885 1.00 0.61 N ATOM 893 CA GLU A 49 -2.470 -1.079 15.947 1.00 0.86 C ATOM 894 C GLU A 49 -2.963 -2.416 15.403 1.00 0.61 C ATOM 895 O GLU A 49 -2.894 -2.654 14.202 1.00 1.16 O ATOM 896 CB GLU A 49 -3.634 -0.303 16.560 1.00 1.42 C ATOM 897 CG GLU A 49 -3.238 1.056 17.111 1.00 1.33 C ATOM 898 CD GLU A 49 -2.221 0.957 18.225 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.617 0.682 19.376 1.00 2.19 O ATOM 900 OE2 GLU A 49 -1.018 1.161 17.957 1.00 2.83 O ATOM 0 H GLU A 49 -2.397 0.539 14.634 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.722 -1.273 16.716 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.407 -0.167 15.804 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.073 -0.897 17.362 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.830 1.666 16.305 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.127 1.568 17.480 1.00 1.33 H new ATOM 907 N GLY A 50 -3.488 -3.261 16.281 1.00 0.74 N ATOM 908 CA GLY A 50 -3.862 -4.616 15.898 1.00 0.61 C ATOM 909 C GLY A 50 -4.876 -4.680 14.767 1.00 0.54 C ATOM 910 O GLY A 50 -4.573 -5.175 13.681 1.00 0.54 O ATOM 0 H GLY A 50 -3.664 -3.033 17.260 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -2.965 -5.159 15.600 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -4.271 -5.129 16.768 1.00 0.61 H new ATOM 914 N ASP A 51 -6.077 -4.175 15.012 1.00 0.54 N ATOM 915 CA ASP A 51 -7.156 -4.262 14.031 1.00 0.52 C ATOM 916 C ASP A 51 -6.964 -3.231 12.927 1.00 0.46 C ATOM 917 O ASP A 51 -7.360 -3.459 11.784 1.00 0.46 O ATOM 918 CB ASP A 51 -8.517 -4.066 14.704 1.00 0.58 C ATOM 919 CG ASP A 51 -8.825 -5.141 15.725 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.386 -6.190 15.342 1.00 2.06 O ATOM 921 OD2 ASP A 51 -8.512 -4.941 16.919 1.00 2.37 O ATOM 0 H ASP A 51 -6.331 -3.701 15.879 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.128 -5.257 13.587 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -8.540 -3.091 15.191 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.297 -4.060 13.942 1.00 0.58 H new ATOM 926 N ALA A 52 -6.341 -2.108 13.266 1.00 0.43 N ATOM 927 CA ALA A 52 -6.000 -1.096 12.271 1.00 0.41 C ATOM 928 C ALA A 52 -5.057 -1.690 11.236 1.00 0.40 C ATOM 929 O ALA A 52 -5.202 -1.453 10.038 1.00 0.40 O ATOM 930 CB ALA A 52 -5.374 0.121 12.936 1.00 0.42 C ATOM 0 H ALA A 52 -6.062 -1.875 14.219 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.912 -0.771 11.770 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.127 0.864 12.177 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.080 0.550 13.648 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.466 -0.178 13.460 1.00 0.42 H new ATOM 936 N LYS A 53 -4.087 -2.463 11.724 1.00 0.40 N ATOM 937 CA LYS A 53 -3.144 -3.163 10.867 1.00 0.41 C ATOM 938 C LYS A 53 -3.902 -4.037 9.885 1.00 0.41 C ATOM 939 O LYS A 53 -3.731 -3.917 8.676 1.00 0.40 O ATOM 940 CB LYS A 53 -2.213 -4.047 11.706 1.00 0.47 C ATOM 941 CG LYS A 53 -0.729 -3.851 11.435 1.00 0.52 C ATOM 942 CD LYS A 53 -0.373 -4.084 9.975 1.00 0.94 C ATOM 943 CE LYS A 53 1.134 -4.078 9.764 1.00 0.83 C ATOM 944 NZ LYS A 53 1.792 -5.259 10.382 1.00 1.62 N ATOM 0 H LYS A 53 -3.937 -2.618 12.721 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.549 -2.425 10.329 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.404 -3.852 12.761 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.466 -5.092 11.524 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.440 -2.839 11.720 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.154 -4.534 12.060 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.784 -5.038 9.646 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.831 -3.310 9.359 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.350 -4.062 8.696 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.555 -3.166 10.188 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.758 -5.354 10.008 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.831 -5.134 11.414 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.248 -6.117 10.157 1.00 1.62 H new ATOM 958 N LYS A 54 -4.735 -4.915 10.436 1.00 0.44 N ATOM 959 CA LYS A 54 -5.527 -5.850 9.642 1.00 0.47 C ATOM 960 C LYS A 54 -6.292 -5.128 8.539 1.00 0.44 C ATOM 961 O LYS A 54 -6.208 -5.487 7.362 1.00 0.46 O ATOM 962 CB LYS A 54 -6.513 -6.591 10.535 1.00 0.52 C ATOM 963 CG LYS A 54 -5.848 -7.385 11.636 1.00 0.99 C ATOM 964 CD LYS A 54 -6.866 -8.193 12.409 1.00 0.97 C ATOM 965 CE LYS A 54 -6.220 -8.995 13.526 1.00 1.74 C ATOM 966 NZ LYS A 54 -5.303 -10.044 13.007 1.00 2.49 N ATOM 0 H LYS A 54 -4.880 -4.999 11.442 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.840 -6.560 9.182 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -7.200 -5.871 10.980 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -7.111 -7.265 9.922 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -5.099 -8.051 11.208 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -5.325 -6.709 12.312 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.617 -7.524 12.829 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -7.385 -8.869 11.730 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -5.666 -8.322 14.180 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -6.997 -9.461 14.132 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -5.005 -10.662 13.789 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -5.795 -10.610 12.287 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -4.467 -9.595 12.582 1.00 2.49 H new ATOM 980 N GLU A 55 -7.012 -4.089 8.934 1.00 0.42 N ATOM 981 CA GLU A 55 -7.833 -3.322 8.019 1.00 0.41 C ATOM 982 C GLU A 55 -6.975 -2.616 6.985 1.00 0.39 C ATOM 983 O GLU A 55 -7.264 -2.701 5.790 1.00 0.41 O ATOM 984 CB GLU A 55 -8.658 -2.319 8.818 1.00 0.42 C ATOM 985 CG GLU A 55 -9.867 -2.934 9.488 1.00 0.89 C ATOM 986 CD GLU A 55 -10.904 -3.400 8.493 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.678 -2.554 7.994 1.00 1.34 O ATOM 988 OE2 GLU A 55 -10.955 -4.611 8.206 1.00 2.27 O ATOM 0 H GLU A 55 -7.041 -3.757 9.898 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.502 -3.994 7.482 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.024 -1.862 9.578 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.987 -1.520 8.154 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.549 -3.779 10.100 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.316 -2.204 10.161 1.00 0.89 H new ATOM 995 N ALA A 56 -5.932 -1.931 7.419 1.00 0.36 N ATOM 996 CA ALA A 56 -5.075 -1.239 6.481 1.00 0.34 C ATOM 997 C ALA A 56 -4.466 -2.232 5.513 1.00 0.36 C ATOM 998 O ALA A 56 -4.544 -2.053 4.307 1.00 0.37 O ATOM 999 CB ALA A 56 -4.000 -0.449 7.199 1.00 0.31 C ATOM 0 H ALA A 56 -5.663 -1.841 8.399 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.679 -0.527 5.919 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.372 0.060 6.467 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.466 0.288 7.853 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.387 -1.126 7.794 1.00 0.31 H new ATOM 1005 N THR A 57 -3.879 -3.285 6.057 1.00 0.38 N ATOM 1006 CA THR A 57 -3.268 -4.328 5.256 1.00 0.41 C ATOM 1007 C THR A 57 -4.185 -4.815 4.140 1.00 0.44 C ATOM 1008 O THR A 57 -3.792 -4.896 2.981 1.00 0.45 O ATOM 1009 CB THR A 57 -2.885 -5.545 6.117 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.995 -5.154 7.165 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.238 -6.615 5.260 1.00 0.51 C ATOM 0 H THR A 57 -3.814 -3.439 7.063 1.00 0.38 H new ATOM 0 HA THR A 57 -2.377 -3.878 4.819 1.00 0.41 H new ATOM 0 HB THR A 57 -3.793 -5.952 6.561 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.510 -4.772 7.906 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.973 -7.469 5.883 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.937 -6.933 4.486 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.339 -6.213 4.794 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.435 -5.083 4.513 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.445 -5.544 3.570 1.00 0.49 C ATOM 1021 C GLU A 58 -6.843 -4.438 2.592 1.00 0.48 C ATOM 1022 O GLU A 58 -7.313 -4.723 1.492 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.658 -6.094 4.316 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.398 -7.469 4.913 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.630 -8.090 5.535 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.484 -8.605 4.786 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.751 -8.061 6.778 1.00 1.71 O ATOM 0 H GLU A 58 -5.772 -4.987 5.471 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.015 -6.353 2.979 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.936 -5.402 5.111 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.506 -6.152 3.633 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.019 -8.131 4.134 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.618 -7.388 5.670 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.637 -3.184 2.964 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.922 -2.080 2.059 1.00 0.43 C ATOM 1036 C HIS A 59 -5.775 -1.920 1.071 1.00 0.42 C ATOM 1037 O HIS A 59 -5.991 -1.794 -0.137 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.153 -0.774 2.822 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.514 -0.657 3.437 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.682 -0.834 2.726 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.892 -0.371 4.708 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.715 -0.660 3.529 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.262 -0.381 4.735 1.00 0.57 N ATOM 0 H HIS A 59 -6.277 -2.906 3.877 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.839 -2.310 1.517 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.402 -0.687 3.608 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.000 0.064 2.141 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.236 -0.173 5.543 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.755 -0.734 3.246 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.839 -0.201 5.557 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.554 -1.915 1.601 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.355 -1.940 0.795 1.00 0.40 C ATOM 1054 C LEU A 60 -3.317 -3.168 -0.112 1.00 0.43 C ATOM 1055 O LEU A 60 -2.778 -3.108 -1.216 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.126 -1.904 1.698 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.782 -0.515 2.222 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.825 -0.007 3.184 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.398 -0.488 2.850 1.00 0.59 C ATOM 0 H LEU A 60 -4.377 -1.893 2.605 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.356 -1.059 0.153 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.291 -2.570 2.545 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.271 -2.295 1.146 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.773 0.159 1.365 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.543 0.986 3.535 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.790 0.047 2.680 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.897 -0.685 4.034 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.183 0.517 3.214 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.362 -1.191 3.682 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.345 -0.771 2.105 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.890 -4.276 0.356 1.00 0.46 N ATOM 1072 CA LYS A 61 -4.002 -5.475 -0.463 1.00 0.50 C ATOM 1073 C LYS A 61 -4.785 -5.176 -1.729 1.00 0.53 C ATOM 1074 O LYS A 61 -4.317 -5.450 -2.829 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.664 -6.623 0.308 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.725 -7.344 1.263 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.429 -8.474 2.000 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.457 -9.263 2.862 1.00 0.59 C ATOM 1079 NZ LYS A 61 -4.147 -10.291 3.685 1.00 0.67 N ATOM 0 H LYS A 61 -4.281 -4.365 1.294 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.993 -5.789 -0.731 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.509 -6.229 0.873 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.065 -7.343 -0.405 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.878 -7.745 0.707 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.324 -6.633 1.985 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.222 -8.064 2.625 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.903 -9.141 1.280 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.717 -9.747 2.224 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.916 -8.579 3.516 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.447 -10.805 4.257 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.835 -9.828 4.313 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.643 -10.960 3.061 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.981 -4.620 -1.572 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.776 -4.212 -2.714 1.00 0.56 C ATOM 1095 C GLY A 62 -6.038 -3.237 -3.614 1.00 0.55 C ATOM 1096 O GLY A 62 -6.165 -3.298 -4.836 1.00 0.59 O ATOM 0 H GLY A 62 -6.416 -4.444 -0.667 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.057 -5.093 -3.291 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.700 -3.751 -2.364 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.283 -2.324 -3.009 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.447 -1.420 -3.783 1.00 0.49 C ATOM 1102 C GLY A 63 -3.423 -2.165 -4.610 1.00 0.49 C ATOM 1103 O GLY A 63 -3.270 -1.913 -5.808 1.00 0.50 O ATOM 0 H GLY A 63 -5.235 -2.193 -1.999 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.075 -0.818 -4.440 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -3.937 -0.731 -3.109 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.734 -3.099 -3.970 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.776 -3.951 -4.654 1.00 0.55 C ATOM 1109 C CYS A 64 -2.481 -4.775 -5.722 1.00 0.56 C ATOM 1110 O CYS A 64 -1.948 -4.986 -6.807 1.00 0.56 O ATOM 1111 CB CYS A 64 -1.076 -4.869 -3.652 1.00 0.68 C ATOM 1112 SG CYS A 64 0.032 -6.095 -4.412 1.00 1.13 S ATOM 0 H CYS A 64 -2.823 -3.285 -2.971 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.025 -3.323 -5.134 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.501 -4.258 -2.957 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.832 -5.392 -3.066 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.690 -5.220 -5.402 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.517 -5.967 -6.335 1.00 0.67 C ATOM 1119 C ARG A 65 -4.704 -5.192 -7.633 1.00 0.65 C ATOM 1120 O ARG A 65 -4.530 -5.748 -8.709 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.871 -6.292 -5.691 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.870 -6.961 -6.626 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.957 -5.990 -7.067 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.715 -5.472 -5.929 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.569 -4.450 -5.991 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.817 -3.844 -7.146 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -10.187 -4.042 -4.890 1.00 3.80 N ATOM 0 H ARG A 65 -4.122 -5.072 -4.490 1.00 0.62 H new ATOM 0 HA ARG A 65 -4.013 -6.903 -6.577 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.704 -6.942 -4.832 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.309 -5.369 -5.311 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.348 -7.347 -7.502 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -7.325 -7.815 -6.124 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -7.505 -5.161 -7.611 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -8.635 -6.492 -7.757 1.00 1.49 H new ATOM 0 HE ARG A 65 -8.581 -5.924 -5.025 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.352 -4.159 -7.997 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.472 -3.063 -7.182 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -10.008 -4.510 -4.001 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -10.841 -3.261 -4.932 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.030 -3.907 -7.531 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.225 -3.081 -8.719 1.00 0.55 C ATOM 1143 C GLU A 66 -3.936 -2.949 -9.523 1.00 0.48 C ATOM 1144 O GLU A 66 -3.958 -2.984 -10.752 1.00 0.47 O ATOM 1145 CB GLU A 66 -5.756 -1.695 -8.357 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.200 -1.696 -7.888 1.00 0.75 C ATOM 1147 CD GLU A 66 -7.793 -0.304 -7.847 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.283 0.169 -8.893 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -7.774 0.328 -6.774 1.00 2.02 O ATOM 0 H GLU A 66 -5.164 -3.418 -6.646 1.00 0.55 H new ATOM 0 HA GLU A 66 -5.969 -3.585 -9.336 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.129 -1.269 -7.573 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.666 -1.043 -9.226 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.795 -2.322 -8.553 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.257 -2.142 -6.895 1.00 0.75 H new ATOM 1156 N ILE A 67 -2.811 -2.803 -8.834 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.522 -2.714 -9.512 1.00 0.47 C ATOM 1158 C ILE A 67 -1.149 -4.052 -10.137 1.00 0.45 C ATOM 1159 O ILE A 67 -0.667 -4.103 -11.268 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.400 -2.238 -8.564 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.649 -0.772 -8.181 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.975 -2.415 -9.213 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.380 -0.190 -7.240 1.00 0.81 C ATOM 0 H ILE A 67 -2.763 -2.744 -7.817 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.626 -1.969 -10.301 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.411 -2.847 -7.660 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -0.674 -0.171 -9.090 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.633 -0.692 -7.719 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.749 -2.073 -8.526 1.00 0.60 H new ATOM 0 HG22 ILE A 67 1.135 -3.468 -9.444 1.00 0.60 H new ATOM 0 HG23 ILE A 67 1.022 -1.831 -10.132 1.00 0.60 H new ATOM 0 HD11 ILE A 67 0.128 0.848 -7.022 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.391 -0.763 -6.313 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.365 -0.234 -7.705 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.399 -5.131 -9.409 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.145 -6.479 -9.908 1.00 0.80 C ATOM 1177 C LEU A 68 -2.099 -6.785 -11.063 1.00 0.82 C ATOM 1178 O LEU A 68 -1.803 -7.588 -11.945 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.310 -7.491 -8.774 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.690 -8.864 -9.021 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.795 -8.730 -9.332 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -0.902 -9.758 -7.811 1.00 1.71 C ATOM 0 H LEU A 68 -1.780 -5.100 -8.463 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.122 -6.548 -10.279 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.871 -7.071 -7.869 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.375 -7.622 -8.580 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.180 -9.319 -9.882 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.221 -9.718 -9.505 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.926 -8.117 -10.224 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.302 -8.259 -8.490 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.456 -10.735 -7.998 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.432 -9.306 -6.938 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -1.970 -9.876 -7.628 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.208 -6.062 -11.064 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.154 -6.136 -12.174 1.00 1.24 C ATOM 1196 C LYS A 69 -3.597 -5.445 -13.404 1.00 1.20 C ATOM 1197 O LYS A 69 -4.127 -5.587 -14.508 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.525 -5.565 -11.811 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.349 -6.484 -10.921 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.775 -5.982 -10.755 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.550 -6.066 -12.060 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.952 -5.609 -11.908 1.00 2.22 N ATOM 0 H LYS A 69 -3.477 -5.422 -10.317 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.296 -7.193 -12.398 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.389 -4.609 -11.306 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.081 -5.365 -12.727 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.364 -7.486 -11.349 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.875 -6.563 -9.942 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.282 -6.570 -9.991 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.760 -4.950 -10.405 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -8.052 -5.460 -12.816 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -8.542 -7.095 -12.420 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.442 -5.684 -12.822 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -10.437 -6.203 -11.206 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -9.962 -4.619 -11.590 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.525 -4.699 -13.214 1.00 1.05 N ATOM 1217 CA HIS A 70 -1.872 -4.015 -14.305 1.00 1.16 C ATOM 1218 C HIS A 70 -0.650 -4.823 -14.715 1.00 0.91 C ATOM 1219 O HIS A 70 -0.519 -5.259 -15.849 1.00 0.89 O ATOM 1220 CB HIS A 70 -1.472 -2.590 -13.904 1.00 1.41 C ATOM 1221 CG HIS A 70 -0.767 -1.830 -14.991 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -1.304 -0.723 -15.609 1.00 1.59 N ATOM 1223 CD2 HIS A 70 0.449 -2.022 -15.556 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -0.451 -0.269 -16.508 1.00 1.76 C ATOM 1225 NE2 HIS A 70 0.623 -1.039 -16.497 1.00 1.74 N ATOM 0 H HIS A 70 -2.088 -4.553 -12.304 1.00 1.05 H new ATOM 0 HA HIS A 70 -2.560 -3.930 -15.146 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.366 -2.040 -13.611 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -0.825 -2.637 -13.028 1.00 1.41 H new ATOM 0 HD2 HIS A 70 1.152 -2.805 -15.311 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -0.605 0.589 -17.146 1.00 1.76 H new ATOM 0 HE2 HIS A 70 1.445 -0.922 -17.090 1.00 1.74 H new ATOM 1234 N VAL A 71 0.233 -5.014 -13.736 1.00 0.76 N ATOM 1235 CA VAL A 71 1.542 -5.582 -13.952 1.00 0.69 C ATOM 1236 C VAL A 71 1.489 -7.057 -14.351 1.00 0.52 C ATOM 1237 O VAL A 71 2.163 -7.475 -15.290 1.00 0.59 O ATOM 1238 CB VAL A 71 2.418 -5.380 -12.698 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.738 -5.855 -11.456 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.740 -6.060 -12.847 1.00 1.46 C ATOM 0 H VAL A 71 0.047 -4.772 -12.763 1.00 0.76 H new ATOM 0 HA VAL A 71 1.991 -5.054 -14.793 1.00 0.69 H new ATOM 0 HB VAL A 71 2.582 -4.307 -12.602 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.391 -5.693 -10.599 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.810 -5.301 -11.315 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.516 -6.918 -11.547 1.00 1.01 H new ATOM 0 HG21 VAL A 71 4.335 -5.900 -11.948 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.585 -7.129 -12.994 1.00 1.46 H new ATOM 0 HG23 VAL A 71 4.266 -5.648 -13.708 1.00 1.46 H new ATOM 1250 N VAL A 72 0.707 -7.847 -13.648 1.00 0.44 N ATOM 1251 CA VAL A 72 0.582 -9.240 -13.997 1.00 0.46 C ATOM 1252 C VAL A 72 -0.685 -9.461 -14.818 1.00 0.47 C ATOM 1253 O VAL A 72 -0.881 -10.516 -15.428 1.00 0.64 O ATOM 1254 CB VAL A 72 0.604 -10.132 -12.742 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.793 -10.481 -12.256 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.457 -11.347 -12.995 1.00 0.80 C ATOM 0 H VAL A 72 0.156 -7.551 -12.842 1.00 0.44 H new ATOM 0 HA VAL A 72 1.439 -9.525 -14.607 1.00 0.46 H new ATOM 0 HB VAL A 72 1.056 -9.569 -11.925 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.723 -11.111 -11.369 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.332 -9.566 -12.009 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.328 -11.017 -13.040 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.469 -11.975 -12.104 1.00 0.80 H new ATOM 0 HG22 VAL A 72 1.046 -11.912 -13.832 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.474 -11.035 -13.233 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.525 -8.438 -14.852 1.00 0.45 N ATOM 1267 CA GLY A 73 -2.724 -8.479 -15.660 1.00 0.48 C ATOM 1268 C GLY A 73 -3.887 -9.110 -14.932 1.00 0.50 C ATOM 1269 O GLY A 73 -3.702 -9.820 -13.941 1.00 0.55 O ATOM 0 H GLY A 73 -1.395 -7.572 -14.329 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -2.992 -7.466 -15.959 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.524 -9.038 -16.574 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.090 -8.864 -15.432 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.299 -9.406 -14.829 1.00 0.58 C ATOM 1275 C GLU A 74 -6.326 -10.923 -14.980 1.00 0.53 C ATOM 1276 O GLU A 74 -6.935 -11.624 -14.179 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.532 -8.760 -15.458 1.00 0.69 C ATOM 1278 CG GLU A 74 -7.540 -7.246 -15.318 1.00 1.45 C ATOM 1279 CD GLU A 74 -8.787 -6.604 -15.885 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.803 -6.520 -15.160 1.00 2.10 O ATOM 1281 OE2 GLU A 74 -8.763 -6.184 -17.060 1.00 2.31 O ATOM 0 H GLU A 74 -5.255 -8.289 -16.258 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.305 -9.176 -13.764 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.575 -9.023 -16.515 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.428 -9.168 -14.991 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -7.451 -6.984 -14.264 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -6.666 -6.836 -15.823 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.657 -11.404 -16.022 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.400 -12.830 -16.231 1.00 0.55 C ATOM 1290 C GLU A 75 -4.770 -13.472 -15.003 1.00 0.53 C ATOM 1291 O GLU A 75 -5.369 -14.331 -14.360 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.449 -13.002 -17.421 1.00 0.58 C ATOM 1293 CG GLU A 75 -4.145 -14.455 -17.756 1.00 0.95 C ATOM 1294 CD GLU A 75 -5.319 -15.175 -18.389 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -6.312 -15.436 -17.679 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -5.269 -15.469 -19.603 1.00 1.31 O ATOM 0 H GLU A 75 -5.272 -10.810 -16.756 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.355 -13.319 -16.424 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.885 -12.520 -18.296 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.514 -12.485 -17.205 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.293 -14.495 -18.434 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -3.853 -14.979 -16.846 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.570 -13.023 -14.668 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.767 -13.696 -13.660 1.00 0.51 C ATOM 1305 C LYS A 76 -3.199 -13.299 -12.261 1.00 0.55 C ATOM 1306 O LYS A 76 -3.137 -14.109 -11.343 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.279 -13.411 -13.898 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.340 -13.882 -12.790 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.441 -15.375 -12.506 1.00 1.43 C ATOM 1310 CE LYS A 76 -0.133 -16.220 -13.734 1.00 0.71 C ATOM 1311 NZ LYS A 76 1.202 -15.922 -14.319 1.00 1.13 N ATOM 0 H LYS A 76 -3.132 -12.198 -15.078 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.924 -14.771 -13.747 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -0.980 -13.886 -14.832 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -1.148 -12.337 -14.031 1.00 0.47 H new ATOM 0 HG2 LYS A 76 0.686 -13.641 -13.067 1.00 1.16 H new ATOM 0 HG3 LYS A 76 -0.562 -13.330 -11.877 1.00 1.16 H new ATOM 0 HD2 LYS A 76 0.250 -15.637 -11.705 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -1.445 -15.608 -12.150 1.00 1.43 H new ATOM 0 HE2 LYS A 76 -0.179 -17.275 -13.464 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.901 -16.050 -14.488 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 1.373 -16.549 -15.131 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 1.229 -14.931 -14.635 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 1.938 -16.077 -13.601 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.652 -12.067 -12.092 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.171 -11.632 -10.806 1.00 0.64 C ATOM 1327 C ALA A 77 -5.412 -12.443 -10.453 1.00 0.65 C ATOM 1328 O ALA A 77 -5.725 -12.641 -9.279 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.490 -10.143 -10.822 1.00 0.68 C ATOM 0 H ALA A 77 -3.671 -11.356 -12.823 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.408 -11.799 -10.046 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -4.877 -9.843 -9.848 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.584 -9.579 -11.042 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.239 -9.939 -11.588 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.102 -12.924 -11.485 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.243 -13.807 -11.307 1.00 0.67 C ATOM 1337 C ALA A 78 -6.765 -15.183 -10.870 1.00 0.67 C ATOM 1338 O ALA A 78 -7.382 -15.834 -10.030 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.037 -13.906 -12.603 1.00 0.66 C ATOM 0 H ALA A 78 -5.885 -12.712 -12.459 1.00 0.63 H new ATOM 0 HA ALA A 78 -7.894 -13.399 -10.534 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.889 -14.570 -12.458 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.393 -12.916 -12.888 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.398 -14.303 -13.392 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.641 -15.601 -11.436 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.055 -16.896 -11.123 1.00 0.65 C ATOM 1347 C GLU A 79 -4.437 -16.886 -9.733 1.00 0.66 C ATOM 1348 O GLU A 79 -4.443 -17.890 -9.034 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.996 -17.257 -12.165 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.507 -17.166 -13.588 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.504 -17.661 -14.610 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -3.225 -18.878 -14.641 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.985 -16.832 -15.388 1.00 1.26 O ATOM 0 H GLU A 79 -5.114 -15.057 -12.119 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.846 -17.646 -11.142 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.140 -16.592 -12.050 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.641 -18.270 -11.977 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.425 -17.747 -13.677 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.763 -16.130 -13.811 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.938 -15.727 -9.325 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.409 -15.542 -7.989 1.00 0.70 C ATOM 1362 C LEU A 80 -4.539 -15.391 -6.980 1.00 0.74 C ATOM 1363 O LEU A 80 -4.385 -15.718 -5.802 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.497 -14.318 -7.983 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.291 -14.448 -8.912 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.580 -13.126 -9.086 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.342 -15.492 -8.380 1.00 0.98 C ATOM 0 H LEU A 80 -3.890 -14.894 -9.912 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.831 -16.419 -7.699 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.077 -13.442 -8.275 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.145 -14.143 -6.966 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.651 -14.758 -9.893 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.272 -13.256 -9.753 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.268 -12.397 -9.514 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.231 -12.770 -8.117 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.515 -15.579 -9.048 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.000 -15.201 -7.387 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.854 -16.452 -8.320 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.675 -14.903 -7.456 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.862 -14.781 -6.621 1.00 0.79 C ATOM 1381 C LYS A 81 -7.449 -16.170 -6.382 1.00 0.77 C ATOM 1382 O LYS A 81 -7.701 -16.563 -5.242 1.00 0.79 O ATOM 1383 CB LYS A 81 -7.892 -13.863 -7.300 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.936 -13.264 -6.359 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.857 -14.319 -5.769 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.917 -13.701 -4.877 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.748 -14.733 -4.210 1.00 2.12 N ATOM 0 H LYS A 81 -5.800 -14.585 -8.417 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.595 -14.338 -5.662 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.362 -13.050 -7.796 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.406 -14.429 -8.077 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -8.432 -12.733 -5.552 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.531 -12.529 -6.901 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.337 -14.875 -6.574 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.270 -15.035 -5.194 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.438 -13.077 -4.122 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -11.556 -13.048 -5.471 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.643 -14.307 -3.895 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.948 -15.504 -4.879 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -11.236 -15.113 -3.388 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.645 -16.913 -7.465 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.212 -18.252 -7.377 1.00 0.75 C ATOM 1403 C ASN A 82 -7.247 -19.169 -6.635 1.00 0.74 C ATOM 1404 O ASN A 82 -7.690 -20.032 -5.880 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.526 -18.793 -8.772 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.256 -20.122 -8.749 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -10.485 -20.167 -8.685 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.510 -21.212 -8.819 1.00 1.54 N ATOM 0 H ASN A 82 -7.420 -16.611 -8.413 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.148 -18.210 -6.820 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.131 -18.063 -9.310 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.595 -18.907 -9.328 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -8.950 -22.132 -8.821 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -7.494 -21.132 -8.871 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.944 -18.996 -6.845 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.963 -19.743 -6.085 1.00 0.72 C ATOM 1417 C LEU A 83 -5.239 -19.584 -4.593 1.00 0.74 C ATOM 1418 O LEU A 83 -5.421 -20.569 -3.878 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.566 -19.233 -6.430 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.666 -20.201 -7.203 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -2.178 -21.328 -6.306 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -3.387 -20.767 -8.417 1.00 1.37 C ATOM 0 H LEU A 83 -5.552 -18.350 -7.530 1.00 0.72 H new ATOM 0 HA LEU A 83 -5.026 -20.802 -6.337 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.669 -18.319 -7.015 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -3.061 -18.962 -5.503 1.00 0.75 H new ATOM 0 HG LEU A 83 -1.799 -19.638 -7.550 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -1.541 -22.001 -6.881 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.609 -20.911 -5.475 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -3.034 -21.881 -5.919 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -2.725 -21.451 -8.947 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -4.279 -21.303 -8.093 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.675 -19.952 -9.082 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.290 -18.329 -4.148 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.598 -17.982 -2.759 1.00 0.81 C ATOM 1436 C LYS A 84 -6.775 -18.789 -2.200 1.00 0.83 C ATOM 1437 O LYS A 84 -6.605 -19.586 -1.277 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.900 -16.481 -2.664 1.00 0.88 C ATOM 1439 CG LYS A 84 -6.532 -16.052 -1.346 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.931 -14.587 -1.373 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.831 -14.229 -0.200 1.00 1.54 C ATOM 1442 NZ LYS A 84 -9.133 -14.951 -0.255 1.00 2.27 N ATOM 0 H LYS A 84 -5.118 -17.519 -4.744 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.725 -18.231 -2.155 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.973 -15.926 -2.807 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.567 -16.204 -3.481 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -7.410 -16.666 -1.145 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.829 -16.224 -0.531 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -6.036 -13.965 -1.348 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -7.446 -14.367 -2.308 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -7.322 -14.469 0.734 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -8.012 -13.154 -0.197 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -9.899 -14.309 0.033 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -9.306 -15.282 -1.226 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -9.105 -15.767 0.389 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.960 -18.594 -2.772 1.00 0.84 N ATOM 1457 CA ASP A 85 -9.183 -19.195 -2.231 1.00 0.91 C ATOM 1458 C ASP A 85 -9.244 -20.707 -2.431 1.00 0.90 C ATOM 1459 O ASP A 85 -10.012 -21.389 -1.754 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.416 -18.526 -2.837 1.00 0.98 C ATOM 1461 CG ASP A 85 -10.750 -17.223 -2.141 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -10.231 -16.169 -2.568 1.00 2.52 O ATOM 1463 OD2 ASP A 85 -11.545 -17.234 -1.177 1.00 1.48 O ATOM 0 H ASP A 85 -8.103 -18.027 -3.608 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.168 -19.024 -1.155 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.243 -18.338 -3.897 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -11.267 -19.203 -2.768 1.00 0.98 H new ATOM 1468 N SER A 86 -8.438 -21.232 -3.343 1.00 0.86 N ATOM 1469 CA SER A 86 -8.363 -22.678 -3.533 1.00 0.90 C ATOM 1470 C SER A 86 -7.398 -23.301 -2.529 1.00 0.84 C ATOM 1471 O SER A 86 -7.282 -24.524 -2.426 1.00 0.96 O ATOM 1472 CB SER A 86 -7.935 -23.006 -4.962 1.00 0.97 C ATOM 1473 OG SER A 86 -8.837 -22.438 -5.901 1.00 1.52 O ATOM 0 H SER A 86 -7.832 -20.688 -3.958 1.00 0.86 H new ATOM 0 HA SER A 86 -9.354 -23.100 -3.364 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.929 -22.626 -5.141 1.00 0.97 H new ATOM 0 HB3 SER A 86 -7.896 -24.087 -5.096 1.00 0.97 H new ATOM 0 HG SER A 86 -8.608 -21.496 -6.046 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.709 -22.447 -1.791 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.848 -22.916 -0.729 1.00 0.88 C ATOM 1481 C GLY A 87 -4.389 -22.700 -1.033 1.00 0.82 C ATOM 1482 O GLY A 87 -3.559 -23.564 -0.750 1.00 0.92 O ATOM 0 H GLY A 87 -6.731 -21.434 -1.909 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -6.103 -22.400 0.196 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -6.028 -23.978 -0.562 1.00 0.88 H new ATOM 1486 N ALA A 88 -4.064 -21.561 -1.615 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.672 -21.197 -1.763 1.00 0.76 C ATOM 1488 C ALA A 88 -2.208 -20.560 -0.477 1.00 0.80 C ATOM 1489 O ALA A 88 -2.739 -19.541 -0.031 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.462 -20.245 -2.918 1.00 0.76 C ATOM 0 H ALA A 88 -4.732 -20.885 -1.986 1.00 0.76 H new ATOM 0 HA ALA A 88 -2.093 -22.095 -1.977 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.404 -19.996 -2.996 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.793 -20.717 -3.843 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -3.038 -19.335 -2.749 1.00 0.76 H new ATOM 1496 N SER A 89 -1.222 -21.188 0.110 1.00 0.81 N ATOM 1497 CA SER A 89 -0.596 -20.695 1.303 1.00 0.86 C ATOM 1498 C SER A 89 0.306 -19.514 0.958 1.00 0.78 C ATOM 1499 O SER A 89 0.457 -19.175 -0.222 1.00 0.77 O ATOM 1500 CB SER A 89 0.204 -21.829 1.923 1.00 0.93 C ATOM 1501 OG SER A 89 -0.549 -23.031 1.919 1.00 1.60 O ATOM 0 H SER A 89 -0.829 -22.065 -0.233 1.00 0.81 H new ATOM 0 HA SER A 89 -1.344 -20.349 2.016 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.131 -21.973 1.369 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.480 -21.570 2.945 1.00 0.93 H new ATOM 0 HG SER A 89 -0.018 -23.751 2.320 1.00 1.60 H new ATOM 1507 N LYS A 90 0.901 -18.896 1.971 1.00 0.76 N ATOM 1508 CA LYS A 90 1.786 -17.752 1.765 1.00 0.74 C ATOM 1509 C LYS A 90 2.822 -18.040 0.685 1.00 0.69 C ATOM 1510 O LYS A 90 3.076 -17.206 -0.184 1.00 0.67 O ATOM 1511 CB LYS A 90 2.502 -17.395 3.068 1.00 0.81 C ATOM 1512 CG LYS A 90 1.604 -16.752 4.111 1.00 1.29 C ATOM 1513 CD LYS A 90 2.297 -16.626 5.463 1.00 1.77 C ATOM 1514 CE LYS A 90 3.587 -15.818 5.385 1.00 2.22 C ATOM 1515 NZ LYS A 90 4.780 -16.665 5.099 1.00 2.96 N ATOM 0 H LYS A 90 0.787 -19.168 2.947 1.00 0.76 H new ATOM 0 HA LYS A 90 1.170 -16.913 1.442 1.00 0.74 H new ATOM 0 HB2 LYS A 90 2.940 -18.300 3.489 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.325 -16.716 2.844 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.299 -15.764 3.767 1.00 1.29 H new ATOM 0 HG3 LYS A 90 0.696 -17.345 4.223 1.00 1.29 H new ATOM 0 HD2 LYS A 90 1.618 -16.153 6.173 1.00 1.77 H new ATOM 0 HD3 LYS A 90 2.518 -17.621 5.848 1.00 1.77 H new ATOM 0 HE2 LYS A 90 3.490 -15.060 4.608 1.00 2.22 H new ATOM 0 HE3 LYS A 90 3.738 -15.291 6.327 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 5.384 -16.711 5.945 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 4.471 -17.624 4.841 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 5.319 -16.251 4.311 1.00 2.96 H new ATOM 1529 N GLU A 91 3.390 -19.232 0.728 1.00 0.71 N ATOM 1530 CA GLU A 91 4.485 -19.577 -0.158 1.00 0.70 C ATOM 1531 C GLU A 91 4.016 -19.910 -1.577 1.00 0.67 C ATOM 1532 O GLU A 91 4.685 -19.560 -2.531 1.00 0.67 O ATOM 1533 CB GLU A 91 5.310 -20.717 0.423 1.00 0.73 C ATOM 1534 CG GLU A 91 6.261 -20.270 1.524 1.00 1.30 C ATOM 1535 CD GLU A 91 5.555 -19.800 2.782 1.00 1.74 C ATOM 1536 OE1 GLU A 91 5.094 -20.658 3.566 1.00 2.34 O ATOM 1537 OE2 GLU A 91 5.461 -18.572 2.998 1.00 2.10 O ATOM 0 H GLU A 91 3.111 -19.976 1.367 1.00 0.71 H new ATOM 0 HA GLU A 91 5.116 -18.692 -0.238 1.00 0.70 H new ATOM 0 HB2 GLU A 91 4.638 -21.478 0.820 1.00 0.73 H new ATOM 0 HB3 GLU A 91 5.885 -21.185 -0.376 1.00 0.73 H new ATOM 0 HG2 GLU A 91 6.925 -21.097 1.777 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.888 -19.462 1.146 1.00 1.30 H new ATOM 1544 N GLU A 92 2.905 -20.627 -1.719 1.00 0.66 N ATOM 1545 CA GLU A 92 2.308 -20.904 -3.018 1.00 0.65 C ATOM 1546 C GLU A 92 2.061 -19.614 -3.775 1.00 0.60 C ATOM 1547 O GLU A 92 2.314 -19.534 -4.967 1.00 0.57 O ATOM 1548 CB GLU A 92 0.983 -21.617 -2.824 1.00 0.69 C ATOM 1549 CG GLU A 92 1.086 -22.894 -2.028 1.00 0.74 C ATOM 1550 CD GLU A 92 1.870 -23.969 -2.751 1.00 1.06 C ATOM 1551 OE1 GLU A 92 1.381 -24.478 -3.782 1.00 1.10 O ATOM 1552 OE2 GLU A 92 2.984 -24.309 -2.292 1.00 1.45 O ATOM 0 H GLU A 92 2.394 -21.032 -0.935 1.00 0.66 H new ATOM 0 HA GLU A 92 2.994 -21.530 -3.588 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.289 -20.943 -2.322 1.00 0.69 H new ATOM 0 HB3 GLU A 92 0.557 -21.843 -3.801 1.00 0.69 H new ATOM 0 HG2 GLU A 92 1.563 -22.684 -1.071 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.084 -23.264 -1.811 1.00 0.74 H new ATOM 1559 N LEU A 93 1.570 -18.609 -3.064 1.00 0.61 N ATOM 1560 CA LEU A 93 1.455 -17.275 -3.647 1.00 0.60 C ATOM 1561 C LEU A 93 2.845 -16.699 -3.820 1.00 0.61 C ATOM 1562 O LEU A 93 3.090 -16.060 -4.833 1.00 0.64 O ATOM 1563 CB LEU A 93 0.540 -16.372 -2.821 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.935 -16.785 -2.856 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.815 -15.715 -2.243 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.381 -17.072 -4.285 1.00 1.07 C ATOM 0 H LEU A 93 1.249 -18.686 -2.099 1.00 0.61 H new ATOM 0 HA LEU A 93 0.983 -17.344 -4.627 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.883 -16.372 -1.786 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.630 -15.349 -3.186 1.00 0.64 H new ATOM 0 HG LEU A 93 -1.038 -17.696 -2.266 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.856 -16.034 -2.281 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.523 -15.554 -1.205 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.700 -14.786 -2.801 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.431 -17.363 -4.287 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.252 -16.177 -4.893 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.779 -17.881 -4.698 1.00 1.07 H new ATOM 1578 N LYS A 94 3.776 -16.922 -2.917 1.00 0.61 N ATOM 1579 CA LYS A 94 5.083 -16.301 -3.055 1.00 0.61 C ATOM 1580 C LYS A 94 5.802 -16.883 -4.259 1.00 0.66 C ATOM 1581 O LYS A 94 6.434 -16.166 -5.029 1.00 0.72 O ATOM 1582 CB LYS A 94 5.928 -16.491 -1.794 1.00 0.64 C ATOM 1583 CG LYS A 94 7.143 -15.572 -1.734 1.00 0.69 C ATOM 1584 CD LYS A 94 7.939 -15.760 -0.449 1.00 1.16 C ATOM 1585 CE LYS A 94 8.777 -17.029 -0.474 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.864 -16.957 -1.486 1.00 2.06 N ATOM 0 H LYS A 94 3.661 -17.515 -2.095 1.00 0.61 H new ATOM 0 HA LYS A 94 4.938 -15.230 -3.200 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.304 -16.314 -0.918 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.263 -17.527 -1.743 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.787 -15.767 -2.591 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.817 -14.535 -1.810 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.590 -14.899 -0.298 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.255 -15.795 0.399 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.210 -17.197 0.512 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.136 -17.883 -0.691 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.583 -17.678 -1.275 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 9.469 -17.128 -2.433 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 10.302 -16.014 -1.459 1.00 2.06 H new ATOM 1600 N ALA A 95 5.656 -18.182 -4.432 1.00 0.67 N ATOM 1601 CA ALA A 95 6.344 -18.892 -5.482 1.00 0.73 C ATOM 1602 C ALA A 95 5.558 -18.886 -6.780 1.00 0.73 C ATOM 1603 O ALA A 95 6.087 -19.157 -7.856 1.00 0.93 O ATOM 1604 CB ALA A 95 6.649 -20.311 -5.050 1.00 0.77 C ATOM 0 H ALA A 95 5.059 -18.769 -3.849 1.00 0.67 H new ATOM 0 HA ALA A 95 7.283 -18.371 -5.669 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.168 -20.832 -5.854 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.281 -20.293 -4.162 1.00 0.77 H new ATOM 0 HB3 ALA A 95 5.718 -20.830 -4.823 1.00 0.77 H new ATOM 1610 N LYS A 96 4.272 -18.558 -6.640 1.00 0.70 N ATOM 1611 CA LYS A 96 3.477 -18.217 -7.822 1.00 0.76 C ATOM 1612 C LYS A 96 3.930 -16.876 -8.392 1.00 0.58 C ATOM 1613 O LYS A 96 4.341 -16.769 -9.549 1.00 0.55 O ATOM 1614 CB LYS A 96 1.988 -18.156 -7.482 1.00 1.02 C ATOM 1615 CG LYS A 96 1.081 -18.575 -8.627 1.00 1.75 C ATOM 1616 CD LYS A 96 1.159 -20.070 -8.876 1.00 2.07 C ATOM 1617 CE LYS A 96 0.263 -20.491 -10.029 1.00 2.92 C ATOM 1618 NZ LYS A 96 0.813 -20.063 -11.344 1.00 3.11 N ATOM 0 H LYS A 96 3.772 -18.521 -5.752 1.00 0.70 H new ATOM 0 HA LYS A 96 3.630 -18.997 -8.568 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.794 -18.799 -6.623 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.734 -17.139 -7.183 1.00 1.02 H new ATOM 0 HG2 LYS A 96 0.052 -18.296 -8.399 1.00 1.75 H new ATOM 0 HG3 LYS A 96 1.364 -18.038 -9.533 1.00 1.75 H new ATOM 0 HD2 LYS A 96 2.190 -20.350 -9.094 1.00 2.07 H new ATOM 0 HD3 LYS A 96 0.867 -20.606 -7.973 1.00 2.07 H new ATOM 0 HE2 LYS A 96 0.145 -21.575 -10.020 1.00 2.92 H new ATOM 0 HE3 LYS A 96 -0.729 -20.061 -9.893 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 0.218 -20.441 -12.109 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 0.823 -19.024 -11.395 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 1.783 -20.424 -11.449 1.00 3.11 H new ATOM 1632 N VAL A 97 3.793 -15.856 -7.548 1.00 0.62 N ATOM 1633 CA VAL A 97 4.137 -14.483 -7.878 1.00 0.57 C ATOM 1634 C VAL A 97 5.527 -14.349 -8.504 1.00 0.54 C ATOM 1635 O VAL A 97 5.686 -13.633 -9.488 1.00 0.59 O ATOM 1636 CB VAL A 97 4.026 -13.593 -6.626 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.516 -12.192 -6.905 1.00 0.97 C ATOM 1638 CG2 VAL A 97 2.589 -13.558 -6.145 1.00 0.93 C ATOM 0 H VAL A 97 3.433 -15.967 -6.600 1.00 0.62 H new ATOM 0 HA VAL A 97 3.422 -14.150 -8.630 1.00 0.57 H new ATOM 0 HB VAL A 97 4.658 -14.020 -5.847 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.425 -11.588 -6.002 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.561 -12.227 -7.214 1.00 0.97 H new ATOM 0 HG13 VAL A 97 3.917 -11.749 -7.700 1.00 0.97 H new ATOM 0 HG21 VAL A 97 2.517 -12.927 -5.259 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.952 -13.154 -6.931 1.00 0.93 H new ATOM 0 HG23 VAL A 97 2.263 -14.568 -5.898 1.00 0.93 H new ATOM 1648 N GLU A 98 6.519 -15.038 -7.947 1.00 0.53 N ATOM 1649 CA GLU A 98 7.871 -15.001 -8.508 1.00 0.57 C ATOM 1650 C GLU A 98 7.854 -15.387 -9.984 1.00 0.52 C ATOM 1651 O GLU A 98 8.427 -14.693 -10.825 1.00 0.53 O ATOM 1652 CB GLU A 98 8.808 -15.940 -7.747 1.00 0.68 C ATOM 1653 CG GLU A 98 9.050 -15.538 -6.301 1.00 0.81 C ATOM 1654 CD GLU A 98 9.754 -14.204 -6.166 1.00 1.31 C ATOM 1655 OE1 GLU A 98 9.070 -13.161 -6.139 1.00 2.03 O ATOM 1656 OE2 GLU A 98 10.998 -14.194 -6.062 1.00 1.65 O ATOM 0 H GLU A 98 6.417 -15.623 -7.118 1.00 0.53 H new ATOM 0 HA GLU A 98 8.239 -13.980 -8.409 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.391 -16.947 -7.768 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.765 -15.980 -8.267 1.00 0.68 H new ATOM 0 HG2 GLU A 98 8.095 -15.493 -5.778 1.00 0.81 H new ATOM 0 HG3 GLU A 98 9.646 -16.308 -5.811 1.00 0.81 H new ATOM 1663 N GLU A 99 7.176 -16.486 -10.296 1.00 0.49 N ATOM 1664 CA GLU A 99 7.059 -16.957 -11.670 1.00 0.49 C ATOM 1665 C GLU A 99 6.323 -15.933 -12.524 1.00 0.48 C ATOM 1666 O GLU A 99 6.727 -15.649 -13.651 1.00 0.51 O ATOM 1667 CB GLU A 99 6.303 -18.288 -11.717 1.00 0.52 C ATOM 1668 CG GLU A 99 6.908 -19.384 -10.853 1.00 0.91 C ATOM 1669 CD GLU A 99 8.258 -19.861 -11.346 1.00 1.68 C ATOM 1670 OE1 GLU A 99 8.303 -20.572 -12.372 1.00 1.82 O ATOM 1671 OE2 GLU A 99 9.279 -19.550 -10.700 1.00 2.48 O ATOM 0 H GLU A 99 6.697 -17.070 -9.611 1.00 0.49 H new ATOM 0 HA GLU A 99 8.065 -17.099 -12.064 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.274 -18.119 -11.400 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.266 -18.635 -12.750 1.00 0.52 H new ATOM 0 HG2 GLU A 99 7.011 -19.016 -9.832 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.222 -20.230 -10.819 1.00 0.91 H new ATOM 1678 N ALA A 100 5.256 -15.361 -11.970 1.00 0.49 N ATOM 1679 CA ALA A 100 4.416 -14.446 -12.717 1.00 0.55 C ATOM 1680 C ALA A 100 5.131 -13.129 -13.000 1.00 0.54 C ATOM 1681 O ALA A 100 5.067 -12.612 -14.115 1.00 0.58 O ATOM 1682 CB ALA A 100 3.122 -14.204 -11.963 1.00 0.63 C ATOM 0 H ALA A 100 4.958 -15.519 -11.007 1.00 0.49 H new ATOM 0 HA ALA A 100 4.188 -14.902 -13.680 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.494 -13.516 -12.529 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.596 -15.149 -11.831 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.345 -13.773 -10.987 1.00 0.63 H new ATOM 1688 N LEU A 101 5.809 -12.594 -11.993 1.00 0.51 N ATOM 1689 CA LEU A 101 6.536 -11.345 -12.135 1.00 0.53 C ATOM 1690 C LEU A 101 7.850 -11.539 -12.881 1.00 0.51 C ATOM 1691 O LEU A 101 8.520 -10.568 -13.224 1.00 0.53 O ATOM 1692 CB LEU A 101 6.810 -10.731 -10.768 1.00 0.53 C ATOM 1693 CG LEU A 101 5.569 -10.398 -9.940 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.974 -9.678 -8.670 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.588 -9.555 -10.742 1.00 1.28 C ATOM 0 H LEU A 101 5.869 -13.011 -11.064 1.00 0.51 H new ATOM 0 HA LEU A 101 5.910 -10.670 -12.719 1.00 0.53 H new ATOM 0 HB2 LEU A 101 7.433 -11.419 -10.197 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.389 -9.818 -10.908 1.00 0.53 H new ATOM 0 HG LEU A 101 5.070 -11.330 -9.675 1.00 0.66 H new ATOM 0 HD11 LEU A 101 5.085 -9.444 -8.085 1.00 1.40 H new ATOM 0 HD12 LEU A 101 6.635 -10.317 -8.085 1.00 1.40 H new ATOM 0 HD13 LEU A 101 6.494 -8.755 -8.925 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.714 -9.332 -10.130 1.00 1.28 H new ATOM 0 HD22 LEU A 101 5.069 -8.623 -11.041 1.00 1.28 H new ATOM 0 HD23 LEU A 101 4.278 -10.105 -11.631 1.00 1.28 H new ATOM 1707 N HIS A 102 8.242 -12.780 -13.113 1.00 0.51 N ATOM 1708 CA HIS A 102 9.379 -13.023 -13.982 1.00 0.53 C ATOM 1709 C HIS A 102 8.880 -13.075 -15.418 1.00 0.56 C ATOM 1710 O HIS A 102 9.437 -12.417 -16.294 1.00 0.57 O ATOM 1711 CB HIS A 102 10.128 -14.294 -13.584 1.00 0.55 C ATOM 1712 CG HIS A 102 11.049 -14.118 -12.415 1.00 1.07 C ATOM 1713 ND1 HIS A 102 12.070 -14.996 -12.125 1.00 1.95 N ATOM 1714 CD2 HIS A 102 11.097 -13.162 -11.454 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.703 -14.592 -11.040 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.135 -13.480 -10.615 1.00 2.14 N ATOM 0 H HIS A 102 7.803 -13.614 -12.724 1.00 0.51 H new ATOM 0 HA HIS A 102 10.100 -12.212 -13.883 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.402 -15.072 -13.348 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.706 -14.646 -14.439 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.440 -12.309 -11.366 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.544 -15.088 -10.578 1.00 2.48 H new ATOM 0 HE2 HIS A 102 12.421 -12.944 -9.796 1.00 2.14 H new ATOM 1725 N ALA A 103 7.842 -13.873 -15.659 1.00 0.58 N ATOM 1726 CA ALA A 103 7.347 -14.140 -17.010 1.00 0.61 C ATOM 1727 C ALA A 103 6.806 -12.888 -17.717 1.00 0.61 C ATOM 1728 O ALA A 103 6.427 -12.951 -18.886 1.00 0.64 O ATOM 1729 CB ALA A 103 6.281 -15.222 -16.956 1.00 0.63 C ATOM 0 H ALA A 103 7.320 -14.353 -14.925 1.00 0.58 H new ATOM 0 HA ALA A 103 8.197 -14.479 -17.602 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.913 -15.420 -17.963 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.709 -16.134 -16.540 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.456 -14.889 -16.327 1.00 0.63 H new ATOM 1735 N VAL A 104 6.783 -11.760 -17.024 1.00 0.60 N ATOM 1736 CA VAL A 104 6.298 -10.530 -17.590 1.00 0.63 C ATOM 1737 C VAL A 104 7.428 -9.789 -18.307 1.00 0.76 C ATOM 1738 O VAL A 104 8.592 -9.863 -17.906 1.00 1.68 O ATOM 1739 CB VAL A 104 5.696 -9.654 -16.485 1.00 0.57 C ATOM 1740 CG1 VAL A 104 6.729 -9.404 -15.423 1.00 0.60 C ATOM 1741 CG2 VAL A 104 5.172 -8.343 -17.032 1.00 0.51 C ATOM 0 H VAL A 104 7.101 -11.681 -16.058 1.00 0.60 H new ATOM 0 HA VAL A 104 5.523 -10.757 -18.322 1.00 0.63 H new ATOM 0 HB VAL A 104 4.849 -10.186 -16.052 1.00 0.57 H new ATOM 0 HG11 VAL A 104 6.300 -8.781 -14.638 1.00 0.60 H new ATOM 0 HG12 VAL A 104 7.051 -10.355 -14.997 1.00 0.60 H new ATOM 0 HG13 VAL A 104 7.587 -8.895 -15.862 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.753 -7.751 -16.218 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.988 -7.792 -17.500 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.397 -8.541 -17.772 1.00 0.51 H new ATOM 1751 N THR A 105 7.072 -9.068 -19.356 1.00 0.77 N ATOM 1752 CA THR A 105 8.081 -8.330 -20.108 1.00 0.79 C ATOM 1753 C THR A 105 7.563 -6.997 -20.634 1.00 0.75 C ATOM 1754 O THR A 105 8.242 -6.342 -21.423 1.00 0.95 O ATOM 1755 CB THR A 105 8.607 -9.155 -21.302 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.508 -9.715 -22.035 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.544 -10.266 -20.851 1.00 1.03 C ATOM 0 H THR A 105 6.117 -8.976 -19.703 1.00 0.77 H new ATOM 0 HA THR A 105 8.889 -8.136 -19.402 1.00 0.79 H new ATOM 0 HB THR A 105 9.172 -8.481 -21.945 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.851 -10.235 -22.792 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.892 -10.823 -21.720 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.399 -9.833 -20.331 1.00 1.03 H new ATOM 0 HG23 THR A 105 9.013 -10.939 -20.178 1.00 1.03 H new ATOM 1765 N ASP A 106 6.388 -6.575 -20.214 1.00 0.77 N ATOM 1766 CA ASP A 106 5.935 -5.233 -20.541 1.00 0.79 C ATOM 1767 C ASP A 106 6.509 -4.211 -19.575 1.00 0.73 C ATOM 1768 O ASP A 106 6.354 -4.334 -18.360 1.00 0.72 O ATOM 1769 CB ASP A 106 4.416 -5.143 -20.476 1.00 0.79 C ATOM 1770 CG ASP A 106 3.908 -3.748 -20.797 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.679 -3.449 -21.989 1.00 1.38 O ATOM 1772 OD2 ASP A 106 3.728 -2.950 -19.856 1.00 2.07 O ATOM 0 H ASP A 106 5.738 -7.128 -19.656 1.00 0.77 H new ATOM 0 HA ASP A 106 6.280 -5.019 -21.553 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.982 -5.856 -21.177 1.00 0.79 H new ATOM 0 HB3 ASP A 106 4.079 -5.430 -19.480 1.00 0.79 H new ATOM 1777 N GLU A 107 7.216 -3.242 -20.135 1.00 0.71 N ATOM 1778 CA GLU A 107 8.072 -2.342 -19.373 1.00 0.69 C ATOM 1779 C GLU A 107 7.362 -1.681 -18.205 1.00 0.66 C ATOM 1780 O GLU A 107 7.841 -1.732 -17.071 1.00 0.63 O ATOM 1781 CB GLU A 107 8.649 -1.273 -20.296 1.00 0.73 C ATOM 1782 CG GLU A 107 9.629 -1.816 -21.320 1.00 1.63 C ATOM 1783 CD GLU A 107 10.932 -2.261 -20.691 1.00 2.35 C ATOM 1784 OE1 GLU A 107 11.864 -1.439 -20.581 1.00 2.65 O ATOM 1785 OE2 GLU A 107 11.033 -3.443 -20.309 1.00 3.18 O ATOM 0 H GLU A 107 7.213 -3.055 -21.138 1.00 0.71 H new ATOM 0 HA GLU A 107 8.870 -2.953 -18.950 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.831 -0.775 -20.817 1.00 0.73 H new ATOM 0 HB3 GLU A 107 9.150 -0.516 -19.692 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.175 -2.658 -21.843 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.832 -1.049 -22.067 1.00 1.63 H new ATOM 1792 N GLU A 108 6.219 -1.070 -18.500 1.00 0.67 N ATOM 1793 CA GLU A 108 5.384 -0.436 -17.489 1.00 0.66 C ATOM 1794 C GLU A 108 5.059 -1.405 -16.363 1.00 0.58 C ATOM 1795 O GLU A 108 5.147 -1.057 -15.187 1.00 0.54 O ATOM 1796 CB GLU A 108 4.087 0.066 -18.123 1.00 0.76 C ATOM 1797 CG GLU A 108 4.258 1.325 -18.951 1.00 1.46 C ATOM 1798 CD GLU A 108 4.472 2.550 -18.092 1.00 2.09 C ATOM 1799 OE1 GLU A 108 5.635 2.837 -17.741 1.00 2.78 O ATOM 1800 OE2 GLU A 108 3.479 3.232 -17.758 1.00 2.40 O ATOM 0 H GLU A 108 5.847 -1.001 -19.447 1.00 0.67 H new ATOM 0 HA GLU A 108 5.937 0.406 -17.072 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.674 -0.720 -18.755 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.358 0.257 -17.335 1.00 0.76 H new ATOM 0 HG2 GLU A 108 5.107 1.203 -19.624 1.00 1.46 H new ATOM 0 HG3 GLU A 108 3.376 1.470 -19.574 1.00 1.46 H new ATOM 1807 N LYS A 109 4.670 -2.622 -16.729 1.00 0.59 N ATOM 1808 CA LYS A 109 4.373 -3.656 -15.755 1.00 0.55 C ATOM 1809 C LYS A 109 5.598 -3.931 -14.874 1.00 0.51 C ATOM 1810 O LYS A 109 5.516 -3.903 -13.644 1.00 0.48 O ATOM 1811 CB LYS A 109 3.909 -4.930 -16.477 1.00 0.58 C ATOM 1812 CG LYS A 109 2.610 -4.744 -17.259 1.00 0.65 C ATOM 1813 CD LYS A 109 2.122 -6.050 -17.876 1.00 1.22 C ATOM 1814 CE LYS A 109 0.747 -5.897 -18.510 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.706 -4.813 -19.527 1.00 1.81 N ATOM 0 H LYS A 109 4.554 -2.913 -17.700 1.00 0.59 H new ATOM 0 HA LYS A 109 3.568 -3.316 -15.104 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.692 -5.257 -17.161 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.773 -5.725 -15.744 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.841 -4.347 -16.596 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.764 -4.006 -18.047 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.835 -6.384 -18.630 1.00 1.22 H new ATOM 0 HD3 LYS A 109 2.084 -6.823 -17.108 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.459 -6.839 -18.976 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.013 -5.689 -17.732 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.214 -4.827 -20.012 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.837 -3.893 -19.060 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.466 -4.960 -20.222 1.00 1.81 H new ATOM 1829 N LYS A 110 6.749 -4.132 -15.499 1.00 0.53 N ATOM 1830 CA LYS A 110 7.963 -4.465 -14.755 1.00 0.53 C ATOM 1831 C LYS A 110 8.495 -3.264 -13.975 1.00 0.51 C ATOM 1832 O LYS A 110 9.303 -3.400 -13.057 1.00 0.51 O ATOM 1833 CB LYS A 110 9.053 -4.979 -15.699 1.00 0.56 C ATOM 1834 CG LYS A 110 8.654 -6.217 -16.477 1.00 0.62 C ATOM 1835 CD LYS A 110 9.822 -6.804 -17.256 1.00 0.80 C ATOM 1836 CE LYS A 110 10.238 -5.921 -18.425 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.200 -4.855 -18.030 1.00 1.14 N ATOM 0 H LYS A 110 6.872 -4.072 -16.510 1.00 0.53 H new ATOM 0 HA LYS A 110 7.697 -5.248 -14.045 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.315 -4.188 -16.402 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.949 -5.199 -15.119 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.264 -6.967 -15.789 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.848 -5.967 -17.167 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.671 -6.940 -16.586 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.548 -7.791 -17.628 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.688 -6.541 -19.200 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.351 -5.460 -18.860 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 10.993 -3.986 -18.563 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.110 -4.666 -17.011 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 12.170 -5.167 -18.240 1.00 1.14 H new ATOM 1851 N GLN A 111 7.997 -2.094 -14.343 1.00 0.51 N ATOM 1852 CA GLN A 111 8.229 -0.893 -13.553 1.00 0.51 C ATOM 1853 C GLN A 111 7.548 -1.026 -12.191 1.00 0.50 C ATOM 1854 O GLN A 111 8.112 -0.638 -11.173 1.00 0.51 O ATOM 1855 CB GLN A 111 7.715 0.350 -14.283 1.00 0.52 C ATOM 1856 CG GLN A 111 7.923 1.641 -13.511 1.00 1.08 C ATOM 1857 CD GLN A 111 9.390 1.962 -13.294 1.00 1.23 C ATOM 1858 OE1 GLN A 111 10.015 2.643 -14.107 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.947 1.471 -12.201 1.00 1.61 N ATOM 0 H GLN A 111 7.432 -1.950 -15.180 1.00 0.51 H new ATOM 0 HA GLN A 111 9.303 -0.779 -13.406 1.00 0.51 H new ATOM 0 HB2 GLN A 111 8.218 0.428 -15.247 1.00 0.52 H new ATOM 0 HB3 GLN A 111 6.651 0.227 -14.487 1.00 0.52 H new ATOM 0 HG2 GLN A 111 7.451 2.462 -14.050 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.425 1.566 -12.545 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.392 0.911 -11.553 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.932 1.652 -12.005 1.00 1.61 H new ATOM 1868 N TYR A 112 6.354 -1.609 -12.172 1.00 0.50 N ATOM 1869 CA TYR A 112 5.628 -1.816 -10.920 1.00 0.49 C ATOM 1870 C TYR A 112 6.299 -2.892 -10.099 1.00 0.49 C ATOM 1871 O TYR A 112 6.264 -2.853 -8.878 1.00 0.50 O ATOM 1872 CB TYR A 112 4.168 -2.181 -11.181 1.00 0.49 C ATOM 1873 CG TYR A 112 3.388 -1.057 -11.810 1.00 0.57 C ATOM 1874 CD1 TYR A 112 3.220 0.147 -11.150 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.811 -1.207 -13.064 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.493 1.173 -11.718 1.00 0.82 C ATOM 1877 CE2 TYR A 112 2.082 -0.187 -13.640 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.980 1.030 -12.980 1.00 0.80 C ATOM 1879 OH TYR A 112 1.196 2.022 -13.526 1.00 0.92 O ATOM 0 H TYR A 112 5.869 -1.946 -13.004 1.00 0.50 H new ATOM 0 HA TYR A 112 5.645 -0.880 -10.361 1.00 0.49 H new ATOM 0 HB2 TYR A 112 4.128 -3.054 -11.832 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.695 -2.463 -10.240 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.665 0.286 -10.176 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.935 -2.138 -13.598 1.00 0.66 H new ATOM 0 HE1 TYR A 112 2.329 2.088 -11.168 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.596 -0.334 -14.593 1.00 0.75 H new ATOM 0 HH TYR A 112 0.310 2.005 -13.109 1.00 0.92 H new ATOM 1889 N ILE A 113 6.923 -3.842 -10.772 1.00 0.49 N ATOM 1890 CA ILE A 113 7.661 -4.889 -10.079 1.00 0.51 C ATOM 1891 C ILE A 113 8.866 -4.317 -9.327 1.00 0.53 C ATOM 1892 O ILE A 113 9.058 -4.585 -8.143 1.00 0.54 O ATOM 1893 CB ILE A 113 8.141 -5.972 -11.051 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.939 -6.598 -11.736 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.955 -7.033 -10.315 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.304 -7.705 -12.676 1.00 0.72 C ATOM 0 H ILE A 113 6.935 -3.913 -11.789 1.00 0.49 H new ATOM 0 HA ILE A 113 6.973 -5.336 -9.361 1.00 0.51 H new ATOM 0 HB ILE A 113 8.787 -5.519 -11.803 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.258 -6.984 -10.978 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.400 -5.826 -12.286 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.287 -7.793 -11.023 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.823 -6.567 -9.849 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.337 -7.498 -9.547 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.400 -8.108 -13.132 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.962 -7.319 -13.455 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.817 -8.495 -12.127 1.00 0.72 H new ATOM 1908 N ALA A 114 9.677 -3.527 -10.023 1.00 0.56 N ATOM 1909 CA ALA A 114 10.858 -2.910 -9.419 1.00 0.59 C ATOM 1910 C ALA A 114 10.457 -1.825 -8.427 1.00 0.59 C ATOM 1911 O ALA A 114 11.029 -1.721 -7.341 1.00 0.60 O ATOM 1912 CB ALA A 114 11.740 -2.323 -10.511 1.00 0.63 C ATOM 0 H ALA A 114 9.540 -3.297 -11.007 1.00 0.56 H new ATOM 0 HA ALA A 114 11.413 -3.675 -8.876 1.00 0.59 H new ATOM 0 HB1 ALA A 114 12.620 -1.863 -10.060 1.00 0.63 H new ATOM 0 HB2 ALA A 114 12.053 -3.115 -11.191 1.00 0.63 H new ATOM 0 HB3 ALA A 114 11.180 -1.569 -11.065 1.00 0.63 H new ATOM 1918 N ASP A 115 9.471 -1.036 -8.796 1.00 0.61 N ATOM 1919 CA ASP A 115 9.101 0.126 -7.997 1.00 0.66 C ATOM 1920 C ASP A 115 8.217 -0.261 -6.819 1.00 0.60 C ATOM 1921 O ASP A 115 8.525 0.042 -5.671 1.00 0.59 O ATOM 1922 CB ASP A 115 8.396 1.156 -8.879 1.00 0.77 C ATOM 1923 CG ASP A 115 8.269 2.509 -8.223 1.00 1.03 C ATOM 1924 OD1 ASP A 115 9.305 3.077 -7.823 1.00 1.20 O ATOM 1925 OD2 ASP A 115 7.138 3.028 -8.142 1.00 1.73 O ATOM 0 H ASP A 115 8.911 -1.171 -9.638 1.00 0.61 H new ATOM 0 HA ASP A 115 10.013 0.563 -7.590 1.00 0.66 H new ATOM 0 HB2 ASP A 115 8.946 1.262 -9.814 1.00 0.77 H new ATOM 0 HB3 ASP A 115 7.402 0.788 -9.134 1.00 0.77 H new ATOM 1930 N PHE A 116 7.137 -0.953 -7.115 1.00 0.60 N ATOM 1931 CA PHE A 116 6.140 -1.266 -6.095 1.00 0.60 C ATOM 1932 C PHE A 116 6.263 -2.705 -5.568 1.00 0.56 C ATOM 1933 O PHE A 116 5.799 -3.010 -4.466 1.00 0.55 O ATOM 1934 CB PHE A 116 4.751 -0.966 -6.655 1.00 0.68 C ATOM 1935 CG PHE A 116 3.618 -1.374 -5.771 1.00 0.53 C ATOM 1936 CD1 PHE A 116 3.383 -0.728 -4.570 1.00 1.11 C ATOM 1937 CD2 PHE A 116 2.790 -2.406 -6.154 1.00 1.01 C ATOM 1938 CE1 PHE A 116 2.331 -1.110 -3.761 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.733 -2.793 -5.353 1.00 1.29 C ATOM 1940 CZ PHE A 116 1.503 -2.144 -4.154 1.00 1.52 C ATOM 0 H PHE A 116 6.921 -1.311 -8.046 1.00 0.60 H new ATOM 0 HA PHE A 116 6.317 -0.633 -5.225 1.00 0.60 H new ATOM 0 HB2 PHE A 116 4.676 0.104 -6.848 1.00 0.68 H new ATOM 0 HB3 PHE A 116 4.645 -1.471 -7.615 1.00 0.68 H new ATOM 0 HD1 PHE A 116 4.028 0.082 -4.263 1.00 1.11 H new ATOM 0 HD2 PHE A 116 2.969 -2.917 -7.089 1.00 1.01 H new ATOM 0 HE1 PHE A 116 2.156 -0.602 -2.824 1.00 1.62 H new ATOM 0 HE2 PHE A 116 1.087 -3.601 -5.663 1.00 1.29 H new ATOM 0 HZ PHE A 116 0.678 -2.445 -3.526 1.00 1.52 H new ATOM 1950 N GLY A 117 6.898 -3.572 -6.349 1.00 0.55 N ATOM 1951 CA GLY A 117 6.941 -5.002 -6.050 1.00 0.56 C ATOM 1952 C GLY A 117 7.340 -5.360 -4.619 1.00 0.54 C ATOM 1953 O GLY A 117 6.570 -6.025 -3.922 1.00 0.55 O ATOM 0 H GLY A 117 7.394 -3.308 -7.200 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.958 -5.428 -6.253 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.643 -5.478 -6.735 1.00 0.56 H new ATOM 1957 N PRO A 118 8.534 -4.948 -4.147 1.00 0.52 N ATOM 1958 CA PRO A 118 9.044 -5.333 -2.819 1.00 0.53 C ATOM 1959 C PRO A 118 8.104 -4.958 -1.672 1.00 0.46 C ATOM 1960 O PRO A 118 8.036 -5.657 -0.659 1.00 0.45 O ATOM 1961 CB PRO A 118 10.363 -4.557 -2.694 1.00 0.54 C ATOM 1962 CG PRO A 118 10.293 -3.497 -3.737 1.00 0.65 C ATOM 1963 CD PRO A 118 9.491 -4.087 -4.857 1.00 0.53 C ATOM 0 HA PRO A 118 9.153 -6.415 -2.744 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.472 -4.124 -1.700 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.221 -5.210 -2.854 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.820 -2.595 -3.348 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.290 -3.213 -4.075 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.987 -3.319 -5.443 1.00 0.53 H new ATOM 0 HD3 PRO A 118 10.115 -4.656 -5.546 1.00 0.53 H new ATOM 1971 N ALA A 119 7.369 -3.868 -1.838 1.00 0.46 N ATOM 1972 CA ALA A 119 6.471 -3.393 -0.797 1.00 0.42 C ATOM 1973 C ALA A 119 5.115 -4.078 -0.887 1.00 0.44 C ATOM 1974 O ALA A 119 4.504 -4.414 0.131 1.00 0.43 O ATOM 1975 CB ALA A 119 6.300 -1.885 -0.890 1.00 0.41 C ATOM 0 H ALA A 119 7.377 -3.297 -2.683 1.00 0.46 H new ATOM 0 HA ALA A 119 6.916 -3.641 0.167 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.625 -1.546 -0.104 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.269 -1.401 -0.770 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.883 -1.625 -1.863 1.00 0.41 H new ATOM 1981 N CYS A 120 4.678 -4.341 -2.112 1.00 0.47 N ATOM 1982 CA CYS A 120 3.502 -5.169 -2.351 1.00 0.50 C ATOM 1983 C CYS A 120 3.695 -6.543 -1.723 1.00 0.52 C ATOM 1984 O CYS A 120 2.755 -7.148 -1.200 1.00 0.53 O ATOM 1985 CB CYS A 120 3.284 -5.321 -3.859 1.00 0.56 C ATOM 1986 SG CYS A 120 1.982 -6.507 -4.320 1.00 1.17 S ATOM 0 H CYS A 120 5.123 -3.991 -2.960 1.00 0.47 H new ATOM 0 HA CYS A 120 2.631 -4.692 -1.901 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.034 -4.346 -4.277 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.222 -5.634 -4.319 1.00 0.56 H new ATOM 1991 N LYS A 121 4.934 -7.013 -1.769 1.00 0.54 N ATOM 1992 CA LYS A 121 5.297 -8.315 -1.238 1.00 0.58 C ATOM 1993 C LYS A 121 4.927 -8.422 0.244 1.00 0.59 C ATOM 1994 O LYS A 121 4.212 -9.347 0.627 1.00 0.65 O ATOM 1995 CB LYS A 121 6.795 -8.543 -1.445 1.00 0.63 C ATOM 1996 CG LYS A 121 7.148 -9.924 -1.977 1.00 1.01 C ATOM 1997 CD LYS A 121 6.602 -10.135 -3.382 1.00 1.04 C ATOM 1998 CE LYS A 121 7.148 -11.404 -4.018 1.00 1.37 C ATOM 1999 NZ LYS A 121 8.617 -11.336 -4.233 1.00 1.47 N ATOM 0 H LYS A 121 5.715 -6.500 -2.177 1.00 0.54 H new ATOM 0 HA LYS A 121 4.741 -9.087 -1.770 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.173 -7.791 -2.138 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.309 -8.389 -0.496 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.231 -10.047 -1.984 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.745 -10.686 -1.310 1.00 1.01 H new ATOM 0 HD2 LYS A 121 5.514 -10.187 -3.345 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.859 -9.278 -4.004 1.00 1.04 H new ATOM 0 HE2 LYS A 121 6.915 -12.257 -3.381 1.00 1.37 H new ATOM 0 HE3 LYS A 121 6.650 -11.573 -4.973 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 8.859 -11.810 -5.127 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.916 -10.341 -4.277 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 9.105 -11.810 -3.446 1.00 1.47 H new ATOM 2013 N LYS A 122 5.387 -7.485 1.081 1.00 0.54 N ATOM 2014 CA LYS A 122 5.028 -7.540 2.503 1.00 0.55 C ATOM 2015 C LYS A 122 3.523 -7.387 2.656 1.00 0.53 C ATOM 2016 O LYS A 122 2.925 -7.957 3.570 1.00 0.57 O ATOM 2017 CB LYS A 122 5.783 -6.504 3.351 1.00 0.52 C ATOM 2018 CG LYS A 122 5.543 -5.048 2.983 1.00 0.46 C ATOM 2019 CD LYS A 122 5.984 -4.125 4.112 1.00 0.47 C ATOM 2020 CE LYS A 122 7.444 -4.340 4.484 1.00 1.15 C ATOM 2021 NZ LYS A 122 7.781 -3.731 5.801 1.00 1.50 N ATOM 0 H LYS A 122 5.987 -6.705 0.812 1.00 0.54 H new ATOM 0 HA LYS A 122 5.333 -8.515 2.883 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.506 -6.646 4.396 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.851 -6.708 3.274 1.00 0.52 H new ATOM 0 HG2 LYS A 122 6.090 -4.803 2.073 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.485 -4.891 2.771 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.835 -3.088 3.812 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.357 -4.297 4.987 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.657 -5.409 4.514 1.00 1.15 H new ATOM 0 HE3 LYS A 122 8.082 -3.910 3.712 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 8.784 -3.901 6.015 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.603 -2.707 5.766 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.191 -4.159 6.543 1.00 1.50 H new ATOM 2035 N ILE A 123 2.923 -6.617 1.769 1.00 0.49 N ATOM 2036 CA ILE A 123 1.548 -6.191 1.938 1.00 0.48 C ATOM 2037 C ILE A 123 0.558 -7.339 1.965 1.00 0.51 C ATOM 2038 O ILE A 123 -0.395 -7.322 2.744 1.00 0.54 O ATOM 2039 CB ILE A 123 1.141 -5.145 0.885 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.738 -3.797 1.286 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.376 -5.057 0.750 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.420 -2.679 0.332 1.00 0.44 C ATOM 0 H ILE A 123 3.370 -6.272 0.919 1.00 0.49 H new ATOM 0 HA ILE A 123 1.509 -5.724 2.922 1.00 0.48 H new ATOM 0 HB ILE A 123 1.527 -5.441 -0.091 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.372 -3.530 2.277 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.821 -3.899 1.362 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.632 -4.310 -0.001 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.771 -6.026 0.447 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.811 -4.772 1.708 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.879 -1.756 0.687 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.810 -2.922 -0.656 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.340 -2.547 0.273 1.00 0.44 H new ATOM 2054 N TYR A 124 0.777 -8.350 1.147 1.00 0.52 N ATOM 2055 CA TYR A 124 -0.163 -9.445 1.122 1.00 0.58 C ATOM 2056 C TYR A 124 0.133 -10.470 2.198 1.00 0.64 C ATOM 2057 O TYR A 124 -0.531 -10.537 3.233 1.00 0.82 O ATOM 2058 CB TYR A 124 -0.044 -10.164 -0.225 1.00 0.59 C ATOM 2059 CG TYR A 124 -1.032 -9.728 -1.269 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -2.392 -9.701 -1.000 1.00 1.14 C ATOM 2061 CD2 TYR A 124 -0.600 -9.349 -2.527 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -3.299 -9.307 -1.963 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -1.503 -8.955 -3.499 1.00 1.05 C ATOM 2064 CZ TYR A 124 -2.852 -8.935 -3.209 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.758 -8.551 -4.174 1.00 1.17 O ATOM 0 H TYR A 124 1.571 -8.434 0.512 1.00 0.52 H new ATOM 0 HA TYR A 124 -1.157 -9.029 1.286 1.00 0.58 H new ATOM 0 HB2 TYR A 124 0.963 -10.011 -0.613 1.00 0.59 H new ATOM 0 HB3 TYR A 124 -0.162 -11.235 -0.059 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -2.747 -9.993 -0.023 1.00 1.14 H new ATOM 0 HD2 TYR A 124 0.456 -9.361 -2.754 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -4.355 -9.291 -1.739 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -1.154 -8.665 -4.479 1.00 1.05 H new ATOM 0 HH TYR A 124 -3.280 -8.318 -4.997 1.00 1.17 H new ATOM 2075 N GLY A 125 1.147 -11.252 1.930 1.00 0.73 N ATOM 2076 CA GLY A 125 1.501 -12.350 2.802 1.00 0.86 C ATOM 2077 C GLY A 125 2.860 -12.230 3.425 1.00 0.71 C ATOM 2078 O GLY A 125 3.062 -12.474 4.613 1.00 0.78 O ATOM 0 H GLY A 125 1.747 -11.151 1.111 1.00 0.73 H new ATOM 0 HA2 GLY A 125 0.756 -12.424 3.594 1.00 0.86 H new ATOM 0 HA3 GLY A 125 1.455 -13.279 2.234 1.00 0.86 H new ATOM 2082 N VAL A 126 3.788 -11.850 2.577 1.00 0.71 N ATOM 2083 CA VAL A 126 5.160 -12.282 2.691 1.00 0.84 C ATOM 2084 C VAL A 126 6.128 -11.131 2.933 1.00 0.99 C ATOM 2085 O VAL A 126 5.732 -10.081 3.431 1.00 1.53 O ATOM 2086 CB VAL A 126 5.525 -13.029 1.387 1.00 0.93 C ATOM 2087 CG1 VAL A 126 4.850 -14.392 1.364 1.00 1.38 C ATOM 2088 CG2 VAL A 126 5.080 -12.221 0.166 1.00 0.98 C ATOM 0 H VAL A 126 3.611 -11.230 1.786 1.00 0.71 H new ATOM 0 HA VAL A 126 5.250 -12.933 3.560 1.00 0.84 H new ATOM 0 HB VAL A 126 6.607 -13.157 1.353 1.00 0.93 H new ATOM 0 HG11 VAL A 126 5.112 -14.912 0.443 1.00 1.38 H new ATOM 0 HG12 VAL A 126 5.185 -14.978 2.220 1.00 1.38 H new ATOM 0 HG13 VAL A 126 3.769 -14.263 1.413 1.00 1.38 H new ATOM 0 HG21 VAL A 126 5.344 -12.761 -0.743 1.00 0.98 H new ATOM 0 HG22 VAL A 126 4.000 -12.075 0.200 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.578 -11.251 0.170 1.00 0.98 H new ATOM 2098 N HIS A 127 7.402 -11.374 2.629 1.00 1.01 N ATOM 2099 CA HIS A 127 8.452 -10.355 2.701 1.00 1.16 C ATOM 2100 C HIS A 127 8.635 -9.864 4.133 1.00 1.46 C ATOM 2101 O HIS A 127 8.944 -8.697 4.380 1.00 2.24 O ATOM 2102 CB HIS A 127 8.133 -9.196 1.756 1.00 1.47 C ATOM 2103 CG HIS A 127 9.327 -8.387 1.342 1.00 1.86 C ATOM 2104 ND1 HIS A 127 10.117 -8.716 0.265 1.00 2.31 N ATOM 2105 CD2 HIS A 127 9.856 -7.254 1.860 1.00 2.47 C ATOM 2106 CE1 HIS A 127 11.080 -7.824 0.137 1.00 2.66 C ATOM 2107 NE2 HIS A 127 10.944 -6.924 1.090 1.00 2.77 N ATOM 0 H HIS A 127 7.738 -12.287 2.324 1.00 1.01 H new ATOM 0 HA HIS A 127 9.393 -10.804 2.383 1.00 1.16 H new ATOM 0 HB2 HIS A 127 7.651 -9.594 0.863 1.00 1.47 H new ATOM 0 HB3 HIS A 127 7.413 -8.536 2.240 1.00 1.47 H new ATOM 0 HD2 HIS A 127 9.491 -6.711 2.719 1.00 2.47 H new ATOM 0 HE1 HIS A 127 11.850 -7.830 -0.621 1.00 2.66 H new ATOM 0 HE2 HIS A 127 11.548 -6.115 1.232 1.00 2.77 H new ATOM 2116 N THR A 128 8.429 -10.768 5.072 1.00 1.60 N ATOM 2117 CA THR A 128 8.672 -10.485 6.471 1.00 2.21 C ATOM 2118 C THR A 128 10.145 -10.731 6.782 1.00 2.87 C ATOM 2119 O THR A 128 10.759 -10.026 7.589 1.00 3.63 O ATOM 2120 CB THR A 128 7.782 -11.373 7.359 1.00 2.81 C ATOM 2121 OG1 THR A 128 6.417 -11.247 6.945 1.00 3.28 O ATOM 2122 CG2 THR A 128 7.898 -10.995 8.828 1.00 3.47 C ATOM 0 H THR A 128 8.091 -11.712 4.887 1.00 1.60 H new ATOM 0 HA THR A 128 8.427 -9.443 6.678 1.00 2.21 H new ATOM 0 HB THR A 128 8.119 -12.403 7.247 1.00 2.81 H new ATOM 0 HG1 THR A 128 5.850 -11.814 7.509 1.00 3.28 H new ATOM 0 HG21 THR A 128 7.255 -11.644 9.423 1.00 3.47 H new ATOM 0 HG22 THR A 128 8.932 -11.112 9.153 1.00 3.47 H new ATOM 0 HG23 THR A 128 7.590 -9.958 8.962 1.00 3.47 H new ATOM 2130 N SER A 129 10.699 -11.725 6.103 1.00 3.24 N ATOM 2131 CA SER A 129 12.103 -12.067 6.226 1.00 4.34 C ATOM 2132 C SER A 129 12.706 -12.255 4.834 1.00 4.97 C ATOM 2133 O SER A 129 12.495 -13.331 4.231 1.00 5.24 O ATOM 2134 CB SER A 129 12.267 -13.338 7.063 1.00 5.03 C ATOM 2135 OG SER A 129 11.651 -13.194 8.337 1.00 5.11 O ATOM 2136 OXT SER A 129 13.351 -11.311 4.332 1.00 5.56 O ATOM 0 H SER A 129 10.184 -12.316 5.451 1.00 3.24 H new ATOM 0 HA SER A 129 12.629 -11.258 6.732 1.00 4.34 H new ATOM 0 HB2 SER A 129 11.826 -14.184 6.536 1.00 5.03 H new ATOM 0 HB3 SER A 129 13.327 -13.559 7.191 1.00 5.03 H new ATOM 0 HG SER A 129 11.768 -14.019 8.852 1.00 5.11 H new TER 2142 SER A 129