USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 956 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 89 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Set 2.1: A 71 THR OG1 : rot 123:sc= 0.084 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.0252 X(o=0.11,f=0.31) USER MOD Set 3.1: A 52 THR OG1 : rot -16:sc= 0.906 USER MOD Set 3.2: A 55 SER OG : rot 136:sc= 3.27 USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= -0.0982 USER MOD Set 4.2: A 35 GLN : amide:sc= 0.997 K(o=0.9,f=0.35) USER MOD Set 5.1: A 14 THR OG1 : rot 91:sc= 1.7 USER MOD Set 5.2: A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 148:sc= 0 (180deg=-1.01) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.09) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0942 (180deg=-0.602) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.87! C(o=-5.7!,f=-4.9!) USER MOD Single : A 18 SER OG : rot 40:sc= 0.386 USER MOD Single : A 22 GLN : amide:sc=-0.00341 X(o=-0.0034,f=-0.054) USER MOD Single : A 24 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-8.4!) USER MOD Single : A 27 SER OG : rot -168:sc= 1.74 USER MOD Single : A 29 ASN : amide:sc= -0.773 X(o=-0.77,f=-1.2) USER MOD Single : A 30 THR OG1 : rot -82:sc= 0.495 USER MOD Single : A 31 ASN : amide:sc= 0.244 K(o=0.24,f=-4.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.312 F(o=-1.2,f=-0.31) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc=-0.00813 (180deg=-0.136) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -1.82! (180deg=-4.15!) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 GLN : amide:sc= -0.0287 K(o=-0.029,f=-2.1) USER MOD Single : A 66 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.2!) USER MOD Single : A 67 MET CE :methyl -143:sc= -0.256 (180deg=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 81 LYS NZ :NH3+ -133:sc= -0.763 (180deg=-2.95!) USER MOD Single : A 82 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-2.4!) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0.814 (180deg=0.715) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 27:sc= 1.07 USER MOD Single : A 101 LYS NZ :NH3+ 125:sc= 1.24 (180deg=0.481) USER MOD Single : A 108 GLN : amide:sc= 0.00721 X(o=0.0072,f=-0.3) USER MOD Single : A 112 LYS NZ :NH3+ -113:sc= -0.418 (180deg=-2.08!) USER MOD Single : A 115 SER OG : rot 41:sc= 0.272 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.396 1.826 -5.225 1.00 6.29 N ATOM 2 CA ALA A 1 19.521 1.960 -4.045 1.00 5.64 C ATOM 3 C ALA A 1 18.996 0.593 -3.628 1.00 5.66 C ATOM 4 O ALA A 1 18.200 -0.020 -4.342 1.00 5.80 O ATOM 5 CB ALA A 1 18.372 2.913 -4.351 1.00 5.37 C ATOM 0 H1 ALA A 1 20.750 2.764 -5.503 1.00 6.29 H new ATOM 0 H2 ALA A 1 21.199 1.207 -4.993 1.00 6.29 H new ATOM 0 H3 ALA A 1 19.857 1.412 -6.012 1.00 6.29 H new ATOM 0 HA ALA A 1 20.097 2.374 -3.217 1.00 5.64 H new ATOM 0 HB1 ALA A 1 17.732 3.005 -3.473 1.00 5.37 H new ATOM 0 HB2 ALA A 1 18.772 3.893 -4.613 1.00 5.37 H new ATOM 0 HB3 ALA A 1 17.789 2.524 -5.186 1.00 5.37 H new ATOM 13 N MET A 2 19.447 0.110 -2.476 1.00 5.85 N ATOM 14 CA MET A 2 19.068 -1.217 -2.008 1.00 6.17 C ATOM 15 C MET A 2 19.294 -1.351 -0.502 1.00 5.91 C ATOM 16 O MET A 2 18.366 -1.651 0.249 1.00 6.19 O ATOM 17 CB MET A 2 19.869 -2.280 -2.762 1.00 6.73 C ATOM 18 CG MET A 2 19.423 -3.704 -2.488 1.00 7.38 C ATOM 19 SD MET A 2 20.407 -4.908 -3.402 1.00 8.14 S ATOM 20 CE MET A 2 19.577 -6.424 -2.945 1.00 8.79 C ATOM 0 H MET A 2 20.074 0.616 -1.851 1.00 5.85 H new ATOM 0 HA MET A 2 18.006 -1.363 -2.203 1.00 6.17 H new ATOM 0 HB2 MET A 2 19.792 -2.086 -3.832 1.00 6.73 H new ATOM 0 HB3 MET A 2 20.921 -2.183 -2.496 1.00 6.73 H new ATOM 0 HG2 MET A 2 19.500 -3.909 -1.420 1.00 7.38 H new ATOM 0 HG3 MET A 2 18.373 -3.813 -2.759 1.00 7.38 H new ATOM 0 HE1 MET A 2 19.635 -7.133 -3.771 1.00 8.79 H new ATOM 0 HE2 MET A 2 20.058 -6.851 -2.065 1.00 8.79 H new ATOM 0 HE3 MET A 2 18.532 -6.213 -2.720 1.00 8.79 H new ATOM 30 N GLY A 3 20.527 -1.123 -0.067 1.00 5.74 N ATOM 31 CA GLY A 3 20.854 -1.237 1.343 1.00 5.81 C ATOM 32 C GLY A 3 20.396 -0.032 2.133 1.00 5.28 C ATOM 33 O GLY A 3 21.054 1.010 2.123 1.00 5.54 O ATOM 0 H GLY A 3 21.309 -0.860 -0.667 1.00 5.74 H new ATOM 0 HA2 GLY A 3 20.390 -2.135 1.751 1.00 5.81 H new ATOM 0 HA3 GLY A 3 21.932 -1.356 1.456 1.00 5.81 H new ATOM 37 N CYS A 4 19.271 -0.173 2.819 1.00 4.84 N ATOM 38 CA CYS A 4 18.677 0.931 3.553 1.00 4.49 C ATOM 39 C CYS A 4 17.648 0.435 4.569 1.00 4.00 C ATOM 40 O CYS A 4 17.354 -0.763 4.616 1.00 4.30 O ATOM 41 CB CYS A 4 18.060 1.926 2.565 1.00 4.71 C ATOM 42 SG CYS A 4 18.921 3.541 2.531 1.00 5.14 S ATOM 0 H CYS A 4 18.750 -1.048 2.882 1.00 4.84 H new ATOM 0 HA CYS A 4 19.457 1.439 4.121 1.00 4.49 H new ATOM 0 HB2 CYS A 4 18.077 1.492 1.565 1.00 4.71 H new ATOM 0 HB3 CYS A 4 17.014 2.085 2.826 1.00 4.71 H new ATOM 47 N LYS A 5 17.195 1.365 5.420 1.00 3.56 N ATOM 48 CA LYS A 5 16.132 1.163 6.428 1.00 3.21 C ATOM 49 C LYS A 5 15.149 0.036 6.125 1.00 2.60 C ATOM 50 O LYS A 5 14.844 -0.259 4.970 1.00 2.48 O ATOM 51 CB LYS A 5 15.317 2.423 6.549 1.00 3.31 C ATOM 52 CG LYS A 5 14.770 2.670 7.949 1.00 3.91 C ATOM 53 CD LYS A 5 13.783 3.831 7.985 1.00 4.47 C ATOM 54 CE LYS A 5 14.448 5.152 7.635 1.00 5.34 C ATOM 55 NZ LYS A 5 13.518 6.301 7.791 1.00 5.99 N ATOM 0 H LYS A 5 17.568 2.314 5.430 1.00 3.56 H new ATOM 0 HA LYS A 5 16.665 0.895 7.341 1.00 3.21 H new ATOM 0 HB2 LYS A 5 15.933 3.273 6.255 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.484 2.375 5.847 1.00 3.31 H new ATOM 0 HG2 LYS A 5 14.279 1.766 8.310 1.00 3.91 H new ATOM 0 HG3 LYS A 5 15.596 2.877 8.629 1.00 3.91 H new ATOM 0 HD2 LYS A 5 12.970 3.638 7.286 1.00 4.47 H new ATOM 0 HD3 LYS A 5 13.340 3.900 8.978 1.00 4.47 H new ATOM 0 HE2 LYS A 5 15.318 5.300 8.274 1.00 5.34 H new ATOM 0 HE3 LYS A 5 14.810 5.115 6.607 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 13.921 7.139 7.325 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 12.603 6.069 7.355 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 13.379 6.500 8.802 1.00 5.99 H new ATOM 69 N GLU A 6 14.641 -0.581 7.190 1.00 2.54 N ATOM 70 CA GLU A 6 13.474 -1.439 7.081 1.00 2.10 C ATOM 71 C GLU A 6 12.346 -0.633 6.476 1.00 1.84 C ATOM 72 O GLU A 6 11.937 0.394 7.027 1.00 2.27 O ATOM 73 CB GLU A 6 13.026 -1.976 8.437 1.00 2.49 C ATOM 74 CG GLU A 6 14.118 -2.680 9.206 1.00 2.96 C ATOM 75 CD GLU A 6 15.064 -1.727 9.899 1.00 3.57 C ATOM 76 OE1 GLU A 6 16.152 -1.464 9.347 1.00 4.01 O ATOM 77 OE2 GLU A 6 14.727 -1.241 10.995 1.00 3.94 O ATOM 0 H GLU A 6 15.021 -0.500 8.133 1.00 2.54 H new ATOM 0 HA GLU A 6 13.735 -2.293 6.457 1.00 2.10 H new ATOM 0 HB2 GLU A 6 12.647 -1.149 9.037 1.00 2.49 H new ATOM 0 HB3 GLU A 6 12.197 -2.667 8.287 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.665 -3.337 9.948 1.00 2.96 H new ATOM 0 HG3 GLU A 6 14.685 -3.313 8.523 1.00 2.96 H new ATOM 84 N ILE A 7 11.861 -1.087 5.351 1.00 1.34 N ATOM 85 CA ILE A 7 10.891 -0.334 4.590 1.00 1.10 C ATOM 86 C ILE A 7 9.499 -0.506 5.178 1.00 0.99 C ATOM 87 O ILE A 7 9.092 -1.616 5.521 1.00 1.30 O ATOM 88 CB ILE A 7 10.925 -0.762 3.108 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.261 -0.416 2.475 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.816 -0.136 2.310 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.833 0.881 2.969 1.00 2.00 C ATOM 0 H ILE A 7 12.122 -1.981 4.936 1.00 1.34 H new ATOM 0 HA ILE A 7 11.148 0.724 4.645 1.00 1.10 H new ATOM 0 HB ILE A 7 10.784 -1.843 3.093 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.970 -1.219 2.678 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.140 -0.363 1.393 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.882 -0.467 1.274 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.854 -0.436 2.726 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.907 0.949 2.350 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.787 1.069 2.477 1.00 2.00 H new ATOM 0 HD12 ILE A 7 12.142 1.693 2.742 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.985 0.824 4.047 1.00 2.00 H new ATOM 103 N GLU A 8 8.786 0.600 5.321 1.00 0.87 N ATOM 104 CA GLU A 8 7.448 0.569 5.878 1.00 0.93 C ATOM 105 C GLU A 8 6.454 0.946 4.801 1.00 0.86 C ATOM 106 O GLU A 8 6.797 1.645 3.854 1.00 1.29 O ATOM 107 CB GLU A 8 7.325 1.510 7.076 1.00 1.41 C ATOM 108 CG GLU A 8 8.342 1.237 8.170 1.00 1.71 C ATOM 109 CD GLU A 8 8.406 2.341 9.201 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.434 2.496 9.968 1.00 2.70 O ATOM 111 OE2 GLU A 8 9.429 3.062 9.254 1.00 2.71 O ATOM 0 H GLU A 8 9.114 1.529 5.058 1.00 0.87 H new ATOM 0 HA GLU A 8 7.237 -0.440 6.233 1.00 0.93 H new ATOM 0 HB2 GLU A 8 7.440 2.538 6.733 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.322 1.423 7.494 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.093 0.298 8.665 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.327 1.109 7.720 1.00 1.71 H new ATOM 118 N ILE A 9 5.231 0.484 4.944 1.00 0.65 N ATOM 119 CA ILE A 9 4.250 0.627 3.912 1.00 0.68 C ATOM 120 C ILE A 9 2.938 1.176 4.453 1.00 0.53 C ATOM 121 O ILE A 9 2.426 0.670 5.454 1.00 0.68 O ATOM 122 CB ILE A 9 4.033 -0.707 3.215 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.201 -1.909 4.153 1.00 0.93 C ATOM 124 CG2 ILE A 9 5.005 -0.811 2.072 1.00 1.34 C ATOM 125 CD1 ILE A 9 4.976 -3.015 3.507 1.00 1.21 C ATOM 0 H ILE A 9 4.898 0.002 5.779 1.00 0.65 H new ATOM 0 HA ILE A 9 4.624 1.350 3.187 1.00 0.68 H new ATOM 0 HB ILE A 9 3.003 -0.735 2.860 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.711 -1.592 5.063 1.00 0.93 H new ATOM 0 HG13 ILE A 9 3.219 -2.278 4.450 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.864 -1.763 1.560 1.00 1.34 H new ATOM 0 HG22 ILE A 9 4.833 0.007 1.372 1.00 1.34 H new ATOM 0 HG23 ILE A 9 6.024 -0.753 2.454 1.00 1.34 H new ATOM 0 HD11 ILE A 9 5.073 -3.847 4.204 1.00 1.21 H new ATOM 0 HD12 ILE A 9 4.453 -3.351 2.612 1.00 1.21 H new ATOM 0 HD13 ILE A 9 5.967 -2.653 3.234 1.00 1.21 H new ATOM 137 N VAL A 10 2.387 2.218 3.815 1.00 0.51 N ATOM 138 CA VAL A 10 1.168 2.837 4.335 1.00 0.46 C ATOM 139 C VAL A 10 -0.067 2.425 3.549 1.00 0.41 C ATOM 140 O VAL A 10 -0.149 2.618 2.333 1.00 0.44 O ATOM 141 CB VAL A 10 1.262 4.383 4.402 1.00 0.61 C ATOM 142 CG1 VAL A 10 2.279 4.914 3.404 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.106 5.038 4.181 1.00 0.77 C ATOM 0 H VAL A 10 2.756 2.638 2.962 1.00 0.51 H new ATOM 0 HA VAL A 10 1.067 2.464 5.354 1.00 0.46 H new ATOM 0 HB VAL A 10 1.600 4.645 5.405 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.324 6.001 3.473 1.00 0.92 H new ATOM 0 HG12 VAL A 10 3.260 4.496 3.627 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.983 4.627 2.395 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.003 6.122 4.235 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.489 4.758 3.200 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -0.800 4.701 4.951 1.00 0.77 H new ATOM 153 N ILE A 11 -1.022 1.853 4.268 1.00 0.40 N ATOM 154 CA ILE A 11 -2.312 1.537 3.723 1.00 0.40 C ATOM 155 C ILE A 11 -3.346 2.373 4.444 1.00 0.44 C ATOM 156 O ILE A 11 -3.639 2.146 5.618 1.00 0.50 O ATOM 157 CB ILE A 11 -2.661 0.043 3.904 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.548 -0.825 3.360 1.00 0.58 C ATOM 159 CG2 ILE A 11 -3.975 -0.290 3.216 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.259 -0.495 1.939 1.00 0.59 C ATOM 0 H ILE A 11 -0.912 1.598 5.250 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.300 1.750 2.654 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.773 -0.157 4.970 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.648 -0.686 3.959 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -1.828 -1.875 3.443 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.201 -1.347 3.356 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.774 0.313 3.647 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -3.893 -0.075 2.151 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.455 -1.134 1.573 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.154 -0.658 1.338 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -0.956 0.549 1.862 1.00 0.59 H new ATOM 172 N LYS A 12 -3.861 3.361 3.761 1.00 0.46 N ATOM 173 CA LYS A 12 -4.862 4.234 4.346 1.00 0.52 C ATOM 174 C LYS A 12 -6.225 3.840 3.828 1.00 0.50 C ATOM 175 O LYS A 12 -6.360 3.369 2.705 1.00 0.62 O ATOM 176 CB LYS A 12 -4.598 5.702 4.011 1.00 0.55 C ATOM 177 CG LYS A 12 -4.729 6.643 5.197 1.00 0.72 C ATOM 178 CD LYS A 12 -6.161 6.794 5.677 1.00 1.32 C ATOM 179 CE LYS A 12 -6.259 7.823 6.794 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.676 9.137 6.399 1.00 2.08 N ATOM 0 H LYS A 12 -3.609 3.587 2.799 1.00 0.46 H new ATOM 0 HA LYS A 12 -4.817 4.124 5.430 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.594 5.794 3.597 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.293 6.017 3.233 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -4.114 6.273 6.017 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.338 7.623 4.922 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -6.797 7.095 4.844 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -6.533 5.832 6.031 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -7.305 7.959 7.070 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -5.742 7.449 7.678 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -6.023 9.878 7.041 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.639 9.088 6.456 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.959 9.363 5.424 1.00 2.08 H new ATOM 194 N ASN A 13 -7.219 4.007 4.656 1.00 0.55 N ATOM 195 CA ASN A 13 -8.588 3.811 4.268 1.00 0.59 C ATOM 196 C ASN A 13 -9.404 4.981 4.768 1.00 0.58 C ATOM 197 O ASN A 13 -9.332 5.316 5.941 1.00 0.95 O ATOM 198 CB ASN A 13 -9.106 2.504 4.856 1.00 1.01 C ATOM 199 CG ASN A 13 -8.608 2.236 6.269 1.00 2.06 C ATOM 200 OD1 ASN A 13 -8.502 0.973 6.617 1.00 2.81 O flip ATOM 201 ND2 ASN A 13 -8.319 3.148 7.045 1.00 2.71 N flip ATOM 0 H ASN A 13 -7.100 4.286 5.630 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.669 3.753 3.183 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -10.196 2.523 4.861 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -8.805 1.679 4.210 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -8.411 4.119 6.747 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -7.988 2.932 7.985 1.00 2.71 H new ATOM 208 N THR A 14 -10.145 5.639 3.891 1.00 0.47 N ATOM 209 CA THR A 14 -10.908 6.797 4.320 1.00 0.74 C ATOM 210 C THR A 14 -11.891 7.310 3.277 1.00 0.54 C ATOM 211 O THR A 14 -11.557 8.100 2.395 1.00 0.70 O ATOM 212 CB THR A 14 -9.979 7.935 4.758 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.721 9.138 4.997 1.00 1.79 O ATOM 214 CG2 THR A 14 -8.951 8.159 3.702 1.00 1.78 C ATOM 0 H THR A 14 -10.233 5.399 2.904 1.00 0.47 H new ATOM 0 HA THR A 14 -11.501 6.453 5.168 1.00 0.74 H new ATOM 0 HB THR A 14 -9.490 7.656 5.691 1.00 1.38 H new ATOM 0 HG1 THR A 14 -10.991 9.174 5.938 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.286 8.967 4.007 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.371 7.247 3.559 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.443 8.427 2.767 1.00 1.78 H new ATOM 222 N LEU A 15 -13.100 6.806 3.357 1.00 0.49 N ATOM 223 CA LEU A 15 -14.209 7.361 2.622 1.00 0.68 C ATOM 224 C LEU A 15 -14.958 8.355 3.501 1.00 0.84 C ATOM 225 O LEU A 15 -15.517 9.347 3.037 1.00 1.18 O ATOM 226 CB LEU A 15 -15.174 6.266 2.166 1.00 0.88 C ATOM 227 CG LEU A 15 -14.639 5.335 1.100 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.307 4.817 1.476 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.620 4.214 0.814 1.00 1.39 C ATOM 0 H LEU A 15 -13.341 6.000 3.934 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.813 7.863 1.739 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.459 5.672 3.034 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.082 6.738 1.790 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.520 5.903 0.177 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.942 4.150 0.695 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.613 5.649 1.596 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.382 4.269 2.415 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.211 3.560 0.044 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.792 3.640 1.724 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.563 4.636 0.467 1.00 1.39 H new ATOM 241 N GLY A 16 -14.944 8.055 4.788 1.00 0.72 N ATOM 242 CA GLY A 16 -15.657 8.837 5.772 1.00 0.87 C ATOM 243 C GLY A 16 -16.270 7.939 6.814 1.00 0.77 C ATOM 244 O GLY A 16 -15.703 7.784 7.884 1.00 1.27 O ATOM 0 H GLY A 16 -14.436 7.260 5.177 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -14.976 9.543 6.247 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.436 9.423 5.285 1.00 0.87 H new ATOM 248 N PRO A 17 -17.438 7.342 6.570 1.00 0.67 N ATOM 249 CA PRO A 17 -17.913 6.237 7.373 1.00 0.76 C ATOM 250 C PRO A 17 -17.968 4.898 6.600 1.00 0.88 C ATOM 251 O PRO A 17 -18.036 4.888 5.371 1.00 1.27 O ATOM 252 CB PRO A 17 -19.317 6.724 7.706 1.00 1.02 C ATOM 253 CG PRO A 17 -19.737 7.534 6.497 1.00 1.42 C ATOM 254 CD PRO A 17 -18.490 7.786 5.663 1.00 1.13 C ATOM 0 HA PRO A 17 -17.272 6.014 8.226 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.996 5.889 7.879 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.322 7.331 8.611 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.485 6.996 5.915 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -20.190 8.476 6.805 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.497 7.217 4.733 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.382 8.837 5.393 1.00 1.13 H new ATOM 262 N SER A 18 -17.933 3.778 7.343 1.00 1.06 N ATOM 263 CA SER A 18 -17.926 2.413 6.774 1.00 1.31 C ATOM 264 C SER A 18 -16.968 2.296 5.590 1.00 1.10 C ATOM 265 O SER A 18 -17.367 2.359 4.427 1.00 1.50 O ATOM 266 CB SER A 18 -19.344 1.977 6.378 1.00 1.75 C ATOM 267 OG SER A 18 -19.943 2.889 5.469 1.00 2.18 O ATOM 0 H SER A 18 -17.909 3.791 8.363 1.00 1.06 H new ATOM 0 HA SER A 18 -17.565 1.739 7.551 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.306 0.986 5.926 1.00 1.75 H new ATOM 0 HB3 SER A 18 -19.962 1.896 7.272 1.00 1.75 H new ATOM 0 HG SER A 18 -19.276 3.185 4.815 1.00 2.18 H new ATOM 273 N ARG A 19 -15.694 2.117 5.904 1.00 0.81 N ATOM 274 CA ARG A 19 -14.648 2.124 4.906 1.00 0.66 C ATOM 275 C ARG A 19 -13.705 0.986 5.176 1.00 0.64 C ATOM 276 O ARG A 19 -12.776 1.109 5.974 1.00 1.02 O ATOM 277 CB ARG A 19 -13.893 3.452 4.918 1.00 0.68 C ATOM 278 CG ARG A 19 -14.798 4.653 5.033 1.00 1.15 C ATOM 279 CD ARG A 19 -14.821 5.192 6.451 1.00 1.94 C ATOM 280 NE ARG A 19 -14.879 4.147 7.485 1.00 2.51 N ATOM 281 CZ ARG A 19 -15.060 4.375 8.798 1.00 3.32 C ATOM 282 NH1 ARG A 19 -15.275 5.600 9.255 1.00 3.76 N ATOM 283 NH2 ARG A 19 -15.048 3.366 9.657 1.00 3.99 N ATOM 0 H ARG A 19 -15.362 1.964 6.856 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.096 2.004 3.919 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -13.190 3.455 5.751 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.305 3.536 4.004 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.460 5.433 4.351 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.809 4.380 4.729 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -13.931 5.800 6.613 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -15.682 5.850 6.565 1.00 1.94 H new ATOM 0 HE ARG A 19 -14.774 3.178 7.184 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -15.305 6.388 8.608 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -15.410 5.755 10.254 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -14.901 2.414 9.323 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -15.186 3.542 10.652 1.00 3.99 H new ATOM 297 N ILE A 20 -13.967 -0.119 4.520 1.00 0.52 N ATOM 298 CA ILE A 20 -13.286 -1.368 4.821 1.00 0.51 C ATOM 299 C ILE A 20 -12.717 -1.975 3.556 1.00 0.54 C ATOM 300 O ILE A 20 -13.393 -2.059 2.531 1.00 0.76 O ATOM 301 CB ILE A 20 -14.216 -2.413 5.475 1.00 0.65 C ATOM 302 CG1 ILE A 20 -15.251 -1.757 6.355 1.00 0.78 C ATOM 303 CG2 ILE A 20 -13.425 -3.398 6.292 1.00 0.72 C ATOM 304 CD1 ILE A 20 -14.680 -1.014 7.522 1.00 0.83 C ATOM 0 H ILE A 20 -14.652 -0.184 3.767 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.494 -1.119 5.527 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.724 -2.938 4.667 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.840 -1.066 5.752 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.935 -2.521 6.724 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -14.102 -4.124 6.742 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.714 -3.916 5.649 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.885 -2.869 7.078 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -15.489 -0.572 8.103 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -14.115 -1.702 8.151 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -14.019 -0.225 7.163 1.00 0.83 H new ATOM 316 N LEU A 21 -11.476 -2.389 3.641 1.00 0.50 N ATOM 317 CA LEU A 21 -10.781 -2.995 2.524 1.00 0.55 C ATOM 318 C LEU A 21 -9.848 -4.060 3.049 1.00 0.52 C ATOM 319 O LEU A 21 -9.113 -3.833 4.011 1.00 0.75 O ATOM 320 CB LEU A 21 -10.006 -1.927 1.747 1.00 0.72 C ATOM 321 CG LEU A 21 -9.507 -0.778 2.620 1.00 1.39 C ATOM 322 CD1 LEU A 21 -8.094 -0.377 2.243 1.00 2.23 C ATOM 323 CD2 LEU A 21 -10.464 0.401 2.500 1.00 2.20 C ATOM 0 H LEU A 21 -10.915 -2.316 4.489 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.499 -3.452 1.843 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.154 -2.395 1.254 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -10.646 -1.524 0.962 1.00 0.72 H new ATOM 0 HG LEU A 21 -9.480 -1.108 3.658 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -7.766 0.443 2.882 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -7.427 -1.229 2.375 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -8.072 -0.057 1.201 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -10.109 1.222 3.123 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -10.511 0.727 1.461 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -11.458 0.098 2.830 1.00 2.20 H new ATOM 335 N GLN A 22 -9.903 -5.225 2.441 1.00 0.47 N ATOM 336 CA GLN A 22 -9.065 -6.319 2.837 1.00 0.47 C ATOM 337 C GLN A 22 -7.818 -6.317 1.971 1.00 0.42 C ATOM 338 O GLN A 22 -7.845 -6.772 0.833 1.00 0.51 O ATOM 339 CB GLN A 22 -9.838 -7.627 2.683 1.00 0.60 C ATOM 340 CG GLN A 22 -9.013 -8.848 2.993 1.00 0.71 C ATOM 341 CD GLN A 22 -9.695 -10.136 2.575 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.528 -10.605 1.447 1.00 1.69 O ATOM 343 NE2 GLN A 22 -10.471 -10.716 3.473 1.00 1.34 N ATOM 0 H GLN A 22 -10.529 -5.433 1.663 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.768 -6.217 3.881 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.706 -7.607 3.342 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.214 -7.701 1.662 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -8.051 -8.770 2.486 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.808 -8.881 4.063 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.584 -10.297 4.396 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.957 -11.583 3.243 1.00 1.34 H new ATOM 352 N TYR A 23 -6.726 -5.799 2.507 1.00 0.42 N ATOM 353 CA TYR A 23 -5.523 -5.634 1.722 1.00 0.42 C ATOM 354 C TYR A 23 -4.586 -6.799 1.961 1.00 0.41 C ATOM 355 O TYR A 23 -4.029 -6.986 3.044 1.00 0.49 O ATOM 356 CB TYR A 23 -4.822 -4.296 2.011 1.00 0.52 C ATOM 357 CG TYR A 23 -4.478 -4.103 3.466 1.00 0.50 C ATOM 358 CD1 TYR A 23 -5.460 -3.786 4.382 1.00 0.54 C ATOM 359 CD2 TYR A 23 -3.179 -4.265 3.919 1.00 0.58 C ATOM 360 CE1 TYR A 23 -5.165 -3.640 5.722 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.868 -4.116 5.256 1.00 0.63 C ATOM 362 CZ TYR A 23 -3.867 -3.805 6.154 1.00 0.63 C ATOM 363 OH TYR A 23 -3.571 -3.679 7.492 1.00 0.74 O ATOM 0 H TYR A 23 -6.651 -5.489 3.476 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.810 -5.618 0.671 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.909 -4.237 1.418 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.466 -3.479 1.686 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -6.477 -3.650 4.044 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.397 -4.512 3.216 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -5.946 -3.398 6.427 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.851 -4.242 5.596 1.00 0.63 H new ATOM 0 HH TYR A 23 -2.612 -3.826 7.630 1.00 0.74 H new ATOM 373 N HIS A 24 -4.467 -7.616 0.947 1.00 0.50 N ATOM 374 CA HIS A 24 -3.523 -8.699 0.951 1.00 0.57 C ATOM 375 C HIS A 24 -2.178 -8.176 0.545 1.00 0.60 C ATOM 376 O HIS A 24 -1.916 -7.980 -0.636 1.00 0.58 O ATOM 377 CB HIS A 24 -3.939 -9.799 -0.011 1.00 0.61 C ATOM 378 CG HIS A 24 -2.927 -10.903 -0.107 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.960 -11.115 0.856 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.715 -11.834 -1.063 1.00 0.85 C ATOM 381 CE1 HIS A 24 -1.200 -12.132 0.492 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.638 -12.585 -0.667 1.00 0.94 N ATOM 0 H HIS A 24 -5.023 -7.548 0.095 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.486 -9.119 1.956 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.894 -10.215 0.311 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.096 -9.370 -1.000 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.850 -10.572 1.713 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.287 -11.963 -1.970 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.362 -12.526 1.049 1.00 0.88 H new ATOM 391 N CYS A 25 -1.327 -7.945 1.501 1.00 0.71 N ATOM 392 CA CYS A 25 -0.027 -7.464 1.168 1.00 0.74 C ATOM 393 C CYS A 25 0.986 -8.585 1.204 1.00 0.91 C ATOM 394 O CYS A 25 0.907 -9.493 2.033 1.00 1.01 O ATOM 395 CB CYS A 25 0.377 -6.302 2.069 1.00 0.79 C ATOM 396 SG CYS A 25 1.282 -5.000 1.179 1.00 1.12 S ATOM 0 H CYS A 25 -1.507 -8.079 2.496 1.00 0.71 H new ATOM 0 HA CYS A 25 -0.055 -7.082 0.147 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.516 -5.872 2.522 1.00 0.79 H new ATOM 0 HB3 CYS A 25 0.997 -6.678 2.882 1.00 0.79 H new ATOM 401 N ARG A 26 1.897 -8.538 0.252 1.00 1.14 N ATOM 402 CA ARG A 26 2.983 -9.486 0.170 1.00 1.38 C ATOM 403 C ARG A 26 4.275 -8.732 -0.072 1.00 1.87 C ATOM 404 O ARG A 26 4.267 -7.637 -0.638 1.00 2.24 O ATOM 405 CB ARG A 26 2.752 -10.497 -0.954 1.00 1.45 C ATOM 406 CG ARG A 26 2.578 -9.862 -2.323 1.00 2.13 C ATOM 407 CD ARG A 26 3.103 -10.771 -3.417 1.00 2.66 C ATOM 408 NE ARG A 26 4.553 -10.955 -3.312 1.00 3.26 N ATOM 409 CZ ARG A 26 5.251 -11.838 -4.024 1.00 4.00 C ATOM 410 NH1 ARG A 26 4.640 -12.644 -4.884 1.00 4.21 N ATOM 411 NH2 ARG A 26 6.565 -11.919 -3.868 1.00 4.86 N ATOM 0 H ARG A 26 1.902 -7.837 -0.488 1.00 1.14 H new ATOM 0 HA ARG A 26 3.040 -10.038 1.108 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.595 -11.187 -0.988 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.866 -11.088 -0.722 1.00 1.45 H new ATOM 0 HG2 ARG A 26 1.523 -9.650 -2.497 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.105 -8.908 -2.354 1.00 2.13 H new ATOM 0 HD2 ARG A 26 2.607 -11.740 -3.356 1.00 2.66 H new ATOM 0 HD3 ARG A 26 2.858 -10.348 -4.391 1.00 2.66 H new ATOM 0 HE ARG A 26 5.061 -10.368 -2.650 1.00 3.26 H new ATOM 0 HH11 ARG A 26 3.628 -12.590 -5.003 1.00 4.21 H new ATOM 0 HH12 ARG A 26 5.182 -13.317 -5.425 1.00 4.21 H new ATOM 0 HH21 ARG A 26 7.039 -11.306 -3.204 1.00 4.86 H new ATOM 0 HH22 ARG A 26 7.102 -12.594 -4.412 1.00 4.86 H new ATOM 425 N SER A 27 5.374 -9.308 0.356 1.00 2.10 N ATOM 426 CA SER A 27 6.656 -8.652 0.257 1.00 2.66 C ATOM 427 C SER A 27 7.416 -9.122 -0.970 1.00 2.39 C ATOM 428 O SER A 27 7.016 -10.096 -1.616 1.00 2.70 O ATOM 429 CB SER A 27 7.467 -8.920 1.514 1.00 3.73 C ATOM 430 OG SER A 27 6.680 -8.698 2.669 1.00 4.43 O ATOM 0 H SER A 27 5.405 -10.236 0.779 1.00 2.10 H new ATOM 0 HA SER A 27 6.489 -7.579 0.157 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.831 -9.947 1.507 1.00 3.73 H new ATOM 0 HB3 SER A 27 8.343 -8.272 1.534 1.00 3.73 H new ATOM 0 HG SER A 27 7.257 -8.687 3.461 1.00 4.43 H new ATOM 436 N GLY A 28 8.489 -8.423 -1.296 1.00 2.45 N ATOM 437 CA GLY A 28 9.274 -8.764 -2.464 1.00 2.54 C ATOM 438 C GLY A 28 9.737 -10.211 -2.453 1.00 2.68 C ATOM 439 O GLY A 28 9.628 -10.913 -3.463 1.00 3.22 O ATOM 0 H GLY A 28 8.834 -7.620 -0.770 1.00 2.45 H new ATOM 0 HA2 GLY A 28 8.682 -8.582 -3.361 1.00 2.54 H new ATOM 0 HA3 GLY A 28 10.143 -8.108 -2.517 1.00 2.54 H new ATOM 443 N ASN A 29 10.214 -10.668 -1.302 1.00 2.60 N ATOM 444 CA ASN A 29 10.653 -12.052 -1.137 1.00 2.96 C ATOM 445 C ASN A 29 10.174 -12.567 0.222 1.00 2.76 C ATOM 446 O ASN A 29 10.848 -13.340 0.899 1.00 3.04 O ATOM 447 CB ASN A 29 12.185 -12.127 -1.259 1.00 3.49 C ATOM 448 CG ASN A 29 12.724 -13.550 -1.328 1.00 4.17 C ATOM 449 OD1 ASN A 29 13.108 -14.133 -0.314 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.762 -14.114 -2.523 1.00 4.63 N ATOM 0 H ASN A 29 10.308 -10.097 -0.462 1.00 2.60 H new ATOM 0 HA ASN A 29 10.225 -12.682 -1.917 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.497 -11.586 -2.153 1.00 3.49 H new ATOM 0 HB3 ASN A 29 12.634 -11.619 -0.406 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.118 -15.064 -2.627 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.435 -13.599 -3.341 1.00 4.63 H new ATOM 457 N THR A 30 8.989 -12.121 0.615 1.00 2.45 N ATOM 458 CA THR A 30 8.457 -12.402 1.941 1.00 2.33 C ATOM 459 C THR A 30 6.925 -12.336 1.926 1.00 2.07 C ATOM 460 O THR A 30 6.335 -11.819 0.974 1.00 2.10 O ATOM 461 CB THR A 30 9.013 -11.395 2.970 1.00 2.45 C ATOM 462 OG1 THR A 30 10.049 -10.599 2.368 1.00 2.93 O ATOM 463 CG2 THR A 30 9.568 -12.112 4.189 1.00 2.70 C ATOM 0 H THR A 30 8.373 -11.558 0.028 1.00 2.45 H new ATOM 0 HA THR A 30 8.766 -13.407 2.228 1.00 2.33 H new ATOM 0 HB THR A 30 8.194 -10.750 3.289 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.894 -11.095 2.385 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.953 -11.379 4.898 1.00 2.70 H new ATOM 0 HG22 THR A 30 8.776 -12.693 4.662 1.00 2.70 H new ATOM 0 HG23 THR A 30 10.374 -12.779 3.883 1.00 2.70 H new ATOM 471 N ASN A 31 6.283 -12.888 2.948 1.00 1.97 N ATOM 472 CA ASN A 31 4.822 -12.871 3.038 1.00 1.75 C ATOM 473 C ASN A 31 4.356 -11.967 4.178 1.00 1.78 C ATOM 474 O ASN A 31 4.984 -11.915 5.237 1.00 2.34 O ATOM 475 CB ASN A 31 4.270 -14.288 3.248 1.00 2.09 C ATOM 476 CG ASN A 31 4.742 -14.933 4.542 1.00 2.43 C ATOM 477 OD1 ASN A 31 5.877 -14.732 4.981 1.00 2.89 O ATOM 478 ND2 ASN A 31 3.868 -15.704 5.173 1.00 2.98 N ATOM 0 H ASN A 31 6.748 -13.354 3.728 1.00 1.97 H new ATOM 0 HA ASN A 31 4.440 -12.478 2.096 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.181 -14.250 3.246 1.00 2.09 H new ATOM 0 HB3 ASN A 31 4.569 -14.915 2.408 1.00 2.09 H new ATOM 0 HD21 ASN A 31 4.126 -16.154 6.052 1.00 2.98 H new ATOM 0 HD22 ASN A 31 2.938 -15.848 4.780 1.00 2.98 H new ATOM 485 N VAL A 32 3.255 -11.253 3.957 1.00 1.39 N ATOM 486 CA VAL A 32 2.715 -10.355 4.973 1.00 1.52 C ATOM 487 C VAL A 32 1.419 -10.908 5.563 1.00 1.38 C ATOM 488 O VAL A 32 1.368 -11.253 6.746 1.00 2.10 O ATOM 489 CB VAL A 32 2.450 -8.935 4.424 1.00 2.13 C ATOM 490 CG1 VAL A 32 1.972 -8.007 5.533 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.693 -8.372 3.753 1.00 2.64 C ATOM 0 H VAL A 32 2.722 -11.279 3.088 1.00 1.39 H new ATOM 0 HA VAL A 32 3.475 -10.287 5.751 1.00 1.52 H new ATOM 0 HB VAL A 32 1.662 -9.006 3.674 1.00 2.13 H new ATOM 0 HG11 VAL A 32 1.792 -7.013 5.123 1.00 2.68 H new ATOM 0 HG12 VAL A 32 1.048 -8.396 5.960 1.00 2.68 H new ATOM 0 HG13 VAL A 32 2.734 -7.946 6.310 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.481 -7.372 3.375 1.00 2.64 H new ATOM 0 HG22 VAL A 32 4.506 -8.321 4.477 1.00 2.64 H new ATOM 0 HG23 VAL A 32 3.984 -9.019 2.925 1.00 2.64 H new ATOM 501 N GLY A 33 0.372 -11.007 4.748 1.00 1.00 N ATOM 502 CA GLY A 33 -0.894 -11.471 5.242 1.00 1.43 C ATOM 503 C GLY A 33 -2.042 -10.809 4.526 1.00 0.99 C ATOM 504 O GLY A 33 -1.849 -10.115 3.521 1.00 1.13 O ATOM 0 H GLY A 33 0.387 -10.772 3.756 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.961 -12.552 5.117 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.965 -11.269 6.311 1.00 1.43 H new ATOM 508 N VAL A 34 -3.236 -11.037 5.032 1.00 0.80 N ATOM 509 CA VAL A 34 -4.448 -10.511 4.432 1.00 0.56 C ATOM 510 C VAL A 34 -5.380 -9.996 5.530 1.00 0.63 C ATOM 511 O VAL A 34 -5.815 -10.770 6.384 1.00 1.03 O ATOM 512 CB VAL A 34 -5.172 -11.594 3.623 1.00 0.89 C ATOM 513 CG1 VAL A 34 -6.312 -10.984 2.824 1.00 1.17 C ATOM 514 CG2 VAL A 34 -4.185 -12.304 2.716 1.00 1.06 C ATOM 0 H VAL A 34 -3.396 -11.593 5.872 1.00 0.80 H new ATOM 0 HA VAL A 34 -4.174 -9.697 3.761 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.600 -12.327 4.307 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.816 -11.765 2.255 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -7.023 -10.514 3.504 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.916 -10.234 2.139 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.705 -13.072 2.144 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.736 -11.584 2.032 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.404 -12.767 3.320 1.00 1.06 H new ATOM 524 N GLN A 35 -5.675 -8.702 5.526 1.00 0.63 N ATOM 525 CA GLN A 35 -6.405 -8.091 6.609 1.00 0.85 C ATOM 526 C GLN A 35 -7.324 -6.973 6.114 1.00 0.70 C ATOM 527 O GLN A 35 -6.982 -6.252 5.185 1.00 0.82 O ATOM 528 CB GLN A 35 -5.385 -7.547 7.602 1.00 1.45 C ATOM 529 CG GLN A 35 -5.975 -6.583 8.586 1.00 2.06 C ATOM 530 CD GLN A 35 -5.075 -6.339 9.778 1.00 2.71 C ATOM 531 OE1 GLN A 35 -5.168 -7.032 10.790 1.00 3.16 O ATOM 532 NE2 GLN A 35 -4.187 -5.366 9.664 1.00 3.28 N ATOM 0 H GLN A 35 -5.415 -8.060 4.777 1.00 0.63 H new ATOM 0 HA GLN A 35 -7.048 -8.834 7.082 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.935 -8.379 8.144 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.583 -7.052 7.055 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -6.173 -5.635 8.086 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -6.934 -6.966 8.933 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -4.142 -4.814 8.807 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -3.547 -5.167 10.433 1.00 3.28 H new ATOM 541 N TYR A 36 -8.499 -6.851 6.731 1.00 0.78 N ATOM 542 CA TYR A 36 -9.383 -5.717 6.480 1.00 0.73 C ATOM 543 C TYR A 36 -9.197 -4.682 7.577 1.00 0.78 C ATOM 544 O TYR A 36 -8.907 -5.033 8.723 1.00 1.06 O ATOM 545 CB TYR A 36 -10.847 -6.120 6.407 1.00 0.94 C ATOM 546 CG TYR A 36 -11.382 -6.624 7.702 1.00 1.62 C ATOM 547 CD1 TYR A 36 -11.008 -7.857 8.165 1.00 2.09 C ATOM 548 CD2 TYR A 36 -12.255 -5.864 8.449 1.00 2.13 C ATOM 549 CE1 TYR A 36 -11.491 -8.344 9.361 1.00 3.04 C ATOM 550 CE2 TYR A 36 -12.751 -6.328 9.646 1.00 3.13 C ATOM 551 CZ TYR A 36 -12.367 -7.574 10.101 1.00 3.57 C ATOM 552 OH TYR A 36 -12.852 -8.048 11.297 1.00 4.60 O ATOM 0 H TYR A 36 -8.859 -7.524 7.408 1.00 0.78 H new ATOM 0 HA TYR A 36 -9.113 -5.303 5.509 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -11.438 -5.262 6.087 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.967 -6.892 5.647 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -10.324 -8.458 7.584 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -12.554 -4.890 8.090 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -11.187 -9.318 9.716 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -13.434 -5.723 10.224 1.00 3.13 H new ATOM 0 HH TYR A 36 -13.455 -7.384 11.692 1.00 4.60 H new ATOM 562 N LEU A 37 -9.364 -3.420 7.239 1.00 0.72 N ATOM 563 CA LEU A 37 -9.184 -2.357 8.211 1.00 0.89 C ATOM 564 C LEU A 37 -10.246 -1.281 8.010 1.00 0.70 C ATOM 565 O LEU A 37 -10.708 -1.056 6.888 1.00 0.61 O ATOM 566 CB LEU A 37 -7.778 -1.758 8.071 1.00 1.23 C ATOM 567 CG LEU A 37 -6.970 -1.606 9.372 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.700 -0.730 10.379 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.665 -2.965 9.978 1.00 2.57 C ATOM 0 H LEU A 37 -9.623 -3.104 6.304 1.00 0.72 H new ATOM 0 HA LEU A 37 -9.292 -2.766 9.216 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -7.207 -2.383 7.384 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.869 -0.776 7.608 1.00 1.23 H new ATOM 0 HG LEU A 37 -6.029 -1.117 9.120 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -7.102 -0.643 11.286 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.858 0.261 9.952 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.663 -1.179 10.621 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.093 -2.834 10.897 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.598 -3.481 10.202 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -6.084 -3.557 9.271 1.00 2.57 H new ATOM 581 N ASN A 38 -10.643 -0.649 9.107 1.00 0.78 N ATOM 582 CA ASN A 38 -11.614 0.439 9.083 1.00 0.73 C ATOM 583 C ASN A 38 -10.887 1.772 8.940 1.00 0.68 C ATOM 584 O ASN A 38 -9.705 1.872 9.275 1.00 0.75 O ATOM 585 CB ASN A 38 -12.420 0.462 10.389 1.00 0.94 C ATOM 586 CG ASN A 38 -12.814 -0.921 10.882 1.00 1.62 C ATOM 587 OD1 ASN A 38 -14.026 -1.349 10.570 1.00 2.32 O flip ATOM 588 ND2 ASN A 38 -12.037 -1.589 11.566 1.00 2.29 N flip ATOM 0 H ASN A 38 -10.301 -0.876 10.041 1.00 0.78 H new ATOM 0 HA ASN A 38 -12.287 0.283 8.240 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.833 0.961 11.160 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -13.321 1.057 10.240 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -11.110 -1.226 11.786 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -12.321 -2.506 11.912 1.00 2.29 H new ATOM 595 N PHE A 39 -11.593 2.786 8.444 1.00 0.68 N ATOM 596 CA PHE A 39 -11.045 4.141 8.352 1.00 0.72 C ATOM 597 C PHE A 39 -10.817 4.710 9.747 1.00 0.83 C ATOM 598 O PHE A 39 -11.746 5.172 10.410 1.00 1.66 O ATOM 599 CB PHE A 39 -11.986 5.042 7.533 1.00 0.85 C ATOM 600 CG PHE A 39 -11.811 6.540 7.734 1.00 1.07 C ATOM 601 CD1 PHE A 39 -10.537 7.120 7.722 1.00 1.35 C ATOM 602 CD2 PHE A 39 -12.910 7.373 7.895 1.00 1.43 C ATOM 603 CE1 PHE A 39 -10.387 8.487 7.863 1.00 1.80 C ATOM 604 CE2 PHE A 39 -12.753 8.737 8.044 1.00 1.87 C ATOM 605 CZ PHE A 39 -11.491 9.273 8.181 1.00 2.03 C ATOM 0 H PHE A 39 -12.548 2.696 8.098 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.084 4.102 7.839 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -11.844 4.818 6.476 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.015 4.779 7.779 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -9.665 6.495 7.602 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.903 6.948 7.904 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -9.418 8.943 7.727 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -13.619 9.383 8.053 1.00 1.87 H new ATOM 0 HZ PHE A 39 -11.360 10.287 8.530 1.00 2.03 H new ATOM 615 N LYS A 40 -9.574 4.641 10.182 1.00 0.86 N ATOM 616 CA LYS A 40 -9.165 5.171 11.472 1.00 0.97 C ATOM 617 C LYS A 40 -7.984 6.099 11.256 1.00 0.72 C ATOM 618 O LYS A 40 -7.965 7.242 11.711 1.00 1.17 O ATOM 619 CB LYS A 40 -8.752 4.032 12.400 1.00 1.52 C ATOM 620 CG LYS A 40 -9.731 2.867 12.422 1.00 2.18 C ATOM 621 CD LYS A 40 -9.126 1.639 13.085 1.00 2.89 C ATOM 622 CE LYS A 40 -8.896 1.850 14.571 1.00 3.36 C ATOM 623 NZ LYS A 40 -10.172 1.978 15.320 1.00 3.76 N ATOM 0 H LYS A 40 -8.815 4.215 9.650 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.995 5.711 11.928 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -7.772 3.665 12.094 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -8.644 4.422 13.412 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -10.635 3.161 12.955 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.028 2.621 11.402 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -9.787 0.785 12.938 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -8.179 1.396 12.603 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -8.323 1.013 14.971 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -8.296 2.748 14.721 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -9.983 1.917 16.341 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -10.611 2.896 15.104 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -10.817 1.211 15.041 1.00 3.76 H new ATOM 637 N GLY A 41 -7.007 5.577 10.535 1.00 0.71 N ATOM 638 CA GLY A 41 -5.832 6.329 10.171 1.00 1.13 C ATOM 639 C GLY A 41 -5.014 5.556 9.163 1.00 0.94 C ATOM 640 O GLY A 41 -5.558 4.718 8.439 1.00 1.09 O ATOM 0 H GLY A 41 -7.012 4.618 10.188 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.122 7.293 9.753 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.232 6.534 11.058 1.00 1.13 H new ATOM 644 N THR A 42 -3.725 5.822 9.099 1.00 0.82 N ATOM 645 CA THR A 42 -2.841 5.032 8.267 1.00 0.68 C ATOM 646 C THR A 42 -2.496 3.722 8.955 1.00 0.65 C ATOM 647 O THR A 42 -2.367 3.661 10.179 1.00 0.75 O ATOM 648 CB THR A 42 -1.557 5.796 7.914 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.171 6.662 8.990 1.00 0.81 O ATOM 650 CG2 THR A 42 -1.762 6.600 6.647 1.00 0.71 C ATOM 0 H THR A 42 -3.268 6.576 9.611 1.00 0.82 H new ATOM 0 HA THR A 42 -3.369 4.821 7.337 1.00 0.68 H new ATOM 0 HB THR A 42 -0.759 5.072 7.751 1.00 0.69 H new ATOM 0 HG1 THR A 42 -0.350 7.139 8.748 1.00 0.81 H new ATOM 0 HG21 THR A 42 -0.845 7.138 6.405 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.015 5.928 5.827 1.00 0.71 H new ATOM 0 HG23 THR A 42 -2.573 7.313 6.796 1.00 0.71 H new ATOM 658 N ARG A 43 -2.366 2.675 8.167 1.00 0.58 N ATOM 659 CA ARG A 43 -2.023 1.371 8.681 1.00 0.58 C ATOM 660 C ARG A 43 -0.693 0.985 8.090 1.00 0.52 C ATOM 661 O ARG A 43 -0.590 0.720 6.893 1.00 0.50 O ATOM 662 CB ARG A 43 -3.095 0.346 8.329 1.00 0.67 C ATOM 663 CG ARG A 43 -2.844 -1.030 8.925 1.00 0.86 C ATOM 664 CD ARG A 43 -2.857 -0.999 10.446 1.00 1.27 C ATOM 665 NE ARG A 43 -2.578 -2.315 11.018 1.00 1.59 N ATOM 666 CZ ARG A 43 -2.644 -2.598 12.319 1.00 2.26 C ATOM 667 NH1 ARG A 43 -2.989 -1.659 13.194 1.00 2.74 N ATOM 668 NH2 ARG A 43 -2.356 -3.821 12.747 1.00 3.01 N ATOM 0 H ARG A 43 -2.495 2.706 7.156 1.00 0.58 H new ATOM 0 HA ARG A 43 -1.959 1.399 9.769 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.062 0.711 8.675 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.158 0.257 7.244 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.605 -1.724 8.569 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -1.882 -1.406 8.578 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -2.115 -0.284 10.801 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.829 -0.650 10.794 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.316 -3.066 10.380 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -3.205 -0.716 12.871 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -3.038 -1.882 14.188 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -2.084 -4.544 12.081 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -2.406 -4.038 13.742 1.00 3.01 H new ATOM 682 N ILE A 44 0.332 0.985 8.913 1.00 0.52 N ATOM 683 CA ILE A 44 1.673 0.876 8.402 1.00 0.51 C ATOM 684 C ILE A 44 2.332 -0.425 8.807 1.00 0.58 C ATOM 685 O ILE A 44 2.317 -0.826 9.972 1.00 0.66 O ATOM 686 CB ILE A 44 2.556 2.066 8.828 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.893 3.382 8.443 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.905 1.979 8.150 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.997 3.965 9.515 1.00 0.61 C ATOM 0 H ILE A 44 0.261 1.059 9.928 1.00 0.52 H new ATOM 0 HA ILE A 44 1.581 0.891 7.316 1.00 0.51 H new ATOM 0 HB ILE A 44 2.684 2.028 9.910 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.668 4.108 8.199 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.305 3.228 7.538 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.522 2.824 8.457 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.396 1.049 8.435 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.771 2.002 7.069 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.565 4.901 9.159 1.00 0.61 H new ATOM 0 HD12 ILE A 44 0.197 3.260 9.744 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.582 4.154 10.415 1.00 0.61 H new ATOM 701 N ILE A 45 2.883 -1.077 7.812 1.00 0.61 N ATOM 702 CA ILE A 45 3.616 -2.309 7.987 1.00 0.74 C ATOM 703 C ILE A 45 5.102 -2.055 7.793 1.00 0.77 C ATOM 704 O ILE A 45 5.470 -1.162 7.045 1.00 0.79 O ATOM 705 CB ILE A 45 3.121 -3.340 6.984 1.00 0.95 C ATOM 706 CG1 ILE A 45 1.793 -3.868 7.422 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.114 -4.465 6.752 1.00 1.62 C ATOM 708 CD1 ILE A 45 0.856 -4.094 6.273 1.00 1.20 C ATOM 0 H ILE A 45 2.834 -0.762 6.843 1.00 0.61 H new ATOM 0 HA ILE A 45 3.455 -2.689 8.996 1.00 0.74 H new ATOM 0 HB ILE A 45 3.012 -2.839 6.022 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.938 -4.806 7.958 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.340 -3.167 8.123 1.00 1.11 H new ATOM 0 HG21 ILE A 45 3.704 -5.168 6.027 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.048 -4.053 6.370 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.304 -4.982 7.692 1.00 1.62 H new ATOM 0 HD11 ILE A 45 -0.093 -4.478 6.647 1.00 1.20 H new ATOM 0 HD12 ILE A 45 0.686 -3.152 5.751 1.00 1.20 H new ATOM 0 HD13 ILE A 45 1.293 -4.817 5.584 1.00 1.20 H new ATOM 720 N LYS A 46 5.950 -2.810 8.468 1.00 0.90 N ATOM 721 CA LYS A 46 7.380 -2.705 8.233 1.00 0.97 C ATOM 722 C LYS A 46 7.940 -4.064 7.845 1.00 1.10 C ATOM 723 O LYS A 46 7.394 -5.097 8.234 1.00 1.20 O ATOM 724 CB LYS A 46 8.124 -2.151 9.452 1.00 1.10 C ATOM 725 CG LYS A 46 8.121 -3.070 10.664 1.00 1.35 C ATOM 726 CD LYS A 46 9.109 -2.595 11.720 1.00 1.85 C ATOM 727 CE LYS A 46 8.781 -1.194 12.211 1.00 2.11 C ATOM 728 NZ LYS A 46 9.779 -0.702 13.195 1.00 2.65 N ATOM 0 H LYS A 46 5.679 -3.494 9.174 1.00 0.90 H new ATOM 0 HA LYS A 46 7.532 -2.001 7.415 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.157 -1.946 9.169 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.676 -1.198 9.733 1.00 1.10 H new ATOM 0 HG2 LYS A 46 7.119 -3.109 11.091 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.375 -4.084 10.355 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.101 -3.287 12.563 1.00 1.85 H new ATOM 0 HD3 LYS A 46 10.117 -2.608 11.306 1.00 1.85 H new ATOM 0 HE2 LYS A 46 8.742 -0.512 11.362 1.00 2.11 H new ATOM 0 HE3 LYS A 46 7.791 -1.192 12.667 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 9.518 0.256 13.504 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 9.798 -1.338 14.018 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 10.720 -0.679 12.753 1.00 2.65 H new ATOM 742 N PHE A 47 9.045 -4.057 7.115 1.00 1.20 N ATOM 743 CA PHE A 47 9.586 -5.257 6.514 1.00 1.41 C ATOM 744 C PHE A 47 11.022 -4.995 6.139 1.00 1.59 C ATOM 745 O PHE A 47 11.342 -3.987 5.509 1.00 1.68 O ATOM 746 CB PHE A 47 8.774 -5.691 5.288 1.00 1.50 C ATOM 747 CG PHE A 47 7.990 -6.951 5.523 1.00 1.87 C ATOM 748 CD1 PHE A 47 6.722 -6.904 6.077 1.00 2.53 C ATOM 749 CD2 PHE A 47 8.533 -8.187 5.212 1.00 2.17 C ATOM 750 CE1 PHE A 47 6.012 -8.060 6.320 1.00 3.14 C ATOM 751 CE2 PHE A 47 7.823 -9.347 5.451 1.00 2.69 C ATOM 752 CZ PHE A 47 6.562 -9.283 6.008 1.00 3.10 C ATOM 0 H PHE A 47 9.589 -3.216 6.925 1.00 1.20 H new ATOM 0 HA PHE A 47 9.530 -6.075 7.233 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.090 -4.890 5.009 1.00 1.50 H new ATOM 0 HB3 PHE A 47 9.449 -5.841 4.446 1.00 1.50 H new ATOM 0 HD1 PHE A 47 6.283 -5.948 6.322 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.521 -8.244 4.779 1.00 2.17 H new ATOM 0 HE1 PHE A 47 5.025 -8.007 6.755 1.00 3.14 H new ATOM 0 HE2 PHE A 47 8.255 -10.305 5.202 1.00 2.69 H new ATOM 0 HZ PHE A 47 6.008 -10.190 6.199 1.00 3.10 H new ATOM 762 N LYS A 48 11.885 -5.885 6.549 1.00 1.83 N ATOM 763 CA LYS A 48 13.300 -5.642 6.467 1.00 2.13 C ATOM 764 C LYS A 48 14.002 -6.770 5.720 1.00 2.50 C ATOM 765 O LYS A 48 15.228 -6.898 5.744 1.00 3.01 O ATOM 766 CB LYS A 48 13.816 -5.448 7.883 1.00 2.46 C ATOM 767 CG LYS A 48 13.595 -6.623 8.840 1.00 3.10 C ATOM 768 CD LYS A 48 14.542 -7.798 8.595 1.00 3.81 C ATOM 769 CE LYS A 48 15.962 -7.532 9.092 1.00 4.36 C ATOM 770 NZ LYS A 48 16.652 -6.452 8.333 1.00 4.90 N ATOM 0 H LYS A 48 11.631 -6.790 6.945 1.00 1.83 H new ATOM 0 HA LYS A 48 13.512 -4.741 5.892 1.00 2.13 H new ATOM 0 HB2 LYS A 48 14.885 -5.239 7.835 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.338 -4.565 8.306 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.720 -6.274 9.865 1.00 3.10 H new ATOM 0 HG3 LYS A 48 12.566 -6.970 8.744 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.149 -8.685 9.092 1.00 3.81 H new ATOM 0 HD3 LYS A 48 14.571 -8.018 7.528 1.00 3.81 H new ATOM 0 HE2 LYS A 48 15.927 -7.261 10.147 1.00 4.36 H new ATOM 0 HE3 LYS A 48 16.545 -8.450 9.018 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 17.674 -6.643 8.309 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 16.283 -6.421 7.361 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 16.481 -5.537 8.798 1.00 4.90 H new ATOM 784 N ASP A 49 13.195 -7.576 5.051 1.00 2.76 N ATOM 785 CA ASP A 49 13.679 -8.729 4.307 1.00 3.32 C ATOM 786 C ASP A 49 14.106 -8.306 2.901 1.00 3.36 C ATOM 787 O ASP A 49 13.748 -7.216 2.447 1.00 3.77 O ATOM 788 CB ASP A 49 12.574 -9.789 4.247 1.00 4.26 C ATOM 789 CG ASP A 49 13.035 -11.104 3.657 1.00 4.93 C ATOM 790 OD1 ASP A 49 12.721 -11.377 2.484 1.00 5.45 O ATOM 791 OD2 ASP A 49 13.707 -11.879 4.371 1.00 5.24 O ATOM 0 H ASP A 49 12.184 -7.450 5.008 1.00 2.76 H new ATOM 0 HA ASP A 49 14.549 -9.153 4.809 1.00 3.32 H new ATOM 0 HB2 ASP A 49 12.194 -9.964 5.253 1.00 4.26 H new ATOM 0 HB3 ASP A 49 11.744 -9.405 3.655 1.00 4.26 H new ATOM 796 N ASP A 50 14.870 -9.160 2.223 1.00 3.50 N ATOM 797 CA ASP A 50 15.414 -8.842 0.910 1.00 3.96 C ATOM 798 C ASP A 50 16.035 -10.077 0.269 1.00 4.13 C ATOM 799 O ASP A 50 17.073 -10.570 0.713 1.00 4.41 O ATOM 800 CB ASP A 50 16.451 -7.732 1.009 1.00 4.66 C ATOM 801 CG ASP A 50 17.226 -7.553 -0.277 1.00 5.23 C ATOM 802 OD1 ASP A 50 18.462 -7.704 -0.256 1.00 5.65 O ATOM 803 OD2 ASP A 50 16.597 -7.252 -1.313 1.00 5.56 O ATOM 0 H ASP A 50 15.127 -10.085 2.568 1.00 3.50 H new ATOM 0 HA ASP A 50 14.592 -8.498 0.283 1.00 3.96 H new ATOM 0 HB2 ASP A 50 15.954 -6.796 1.264 1.00 4.66 H new ATOM 0 HB3 ASP A 50 17.144 -7.957 1.820 1.00 4.66 H new ATOM 808 N GLY A 51 15.378 -10.581 -0.762 1.00 4.42 N ATOM 809 CA GLY A 51 15.878 -11.747 -1.467 1.00 5.01 C ATOM 810 C GLY A 51 16.061 -11.511 -2.958 1.00 5.12 C ATOM 811 O GLY A 51 16.535 -12.390 -3.678 1.00 5.72 O ATOM 0 H GLY A 51 14.503 -10.204 -1.127 1.00 4.42 H new ATOM 0 HA2 GLY A 51 16.832 -12.045 -1.033 1.00 5.01 H new ATOM 0 HA3 GLY A 51 15.187 -12.577 -1.319 1.00 5.01 H new ATOM 815 N THR A 52 15.685 -10.330 -3.425 1.00 4.86 N ATOM 816 CA THR A 52 15.828 -9.974 -4.833 1.00 5.25 C ATOM 817 C THR A 52 16.552 -8.635 -4.960 1.00 5.04 C ATOM 818 O THR A 52 17.250 -8.229 -4.036 1.00 4.76 O ATOM 819 CB THR A 52 14.466 -9.906 -5.542 1.00 5.76 C ATOM 820 OG1 THR A 52 13.618 -8.940 -4.916 1.00 5.54 O ATOM 821 CG2 THR A 52 13.772 -11.260 -5.544 1.00 6.40 C ATOM 0 H THR A 52 15.276 -9.596 -2.847 1.00 4.86 H new ATOM 0 HA THR A 52 16.416 -10.754 -5.317 1.00 5.25 H new ATOM 0 HB THR A 52 14.653 -9.609 -6.574 1.00 5.76 H new ATOM 0 HG1 THR A 52 13.977 -8.714 -4.033 1.00 5.54 H new ATOM 0 HG21 THR A 52 12.812 -11.176 -6.053 1.00 6.40 H new ATOM 0 HG22 THR A 52 14.396 -11.988 -6.063 1.00 6.40 H new ATOM 0 HG23 THR A 52 13.611 -11.588 -4.517 1.00 6.40 H new ATOM 829 N GLU A 53 16.406 -7.956 -6.091 1.00 5.50 N ATOM 830 CA GLU A 53 17.041 -6.656 -6.280 1.00 5.71 C ATOM 831 C GLU A 53 16.241 -5.551 -5.593 1.00 5.89 C ATOM 832 O GLU A 53 16.797 -4.728 -4.861 1.00 6.33 O ATOM 833 CB GLU A 53 17.179 -6.347 -7.768 1.00 6.53 C ATOM 834 CG GLU A 53 18.110 -7.293 -8.508 1.00 6.78 C ATOM 835 CD GLU A 53 19.544 -7.196 -8.031 1.00 7.39 C ATOM 836 OE1 GLU A 53 20.266 -6.277 -8.469 1.00 7.81 O ATOM 837 OE2 GLU A 53 19.956 -8.041 -7.206 1.00 7.67 O ATOM 0 H GLU A 53 15.857 -8.281 -6.887 1.00 5.50 H new ATOM 0 HA GLU A 53 18.032 -6.696 -5.828 1.00 5.71 H new ATOM 0 HB2 GLU A 53 16.193 -6.387 -8.231 1.00 6.53 H new ATOM 0 HB3 GLU A 53 17.545 -5.327 -7.885 1.00 6.53 H new ATOM 0 HG2 GLU A 53 17.758 -8.316 -8.380 1.00 6.78 H new ATOM 0 HG3 GLU A 53 18.071 -7.073 -9.575 1.00 6.78 H new ATOM 844 N ARG A 54 14.942 -5.515 -5.862 1.00 5.89 N ATOM 845 CA ARG A 54 14.053 -4.556 -5.220 1.00 6.41 C ATOM 846 C ARG A 54 13.457 -5.149 -3.955 1.00 5.90 C ATOM 847 O ARG A 54 13.447 -4.497 -2.910 1.00 6.48 O ATOM 848 CB ARG A 54 12.926 -4.138 -6.165 1.00 7.06 C ATOM 849 CG ARG A 54 13.394 -3.364 -7.383 1.00 7.90 C ATOM 850 CD ARG A 54 12.215 -2.872 -8.204 1.00 8.75 C ATOM 851 NE ARG A 54 12.641 -2.079 -9.355 1.00 9.31 N ATOM 852 CZ ARG A 54 11.892 -1.136 -9.927 1.00 10.15 C ATOM 853 NH1 ARG A 54 10.668 -0.886 -9.473 1.00 10.53 N ATOM 854 NH2 ARG A 54 12.363 -0.453 -10.961 1.00 10.77 N ATOM 0 H ARG A 54 14.480 -6.141 -6.522 1.00 5.89 H new ATOM 0 HA ARG A 54 14.642 -3.676 -4.964 1.00 6.41 H new ATOM 0 HB2 ARG A 54 12.395 -5.030 -6.497 1.00 7.06 H new ATOM 0 HB3 ARG A 54 12.211 -3.528 -5.613 1.00 7.06 H new ATOM 0 HG2 ARG A 54 14.001 -2.515 -7.067 1.00 7.90 H new ATOM 0 HG3 ARG A 54 14.030 -3.999 -7.999 1.00 7.90 H new ATOM 0 HD2 ARG A 54 11.632 -3.726 -8.548 1.00 8.75 H new ATOM 0 HD3 ARG A 54 11.559 -2.272 -7.573 1.00 8.75 H new ATOM 0 HE ARG A 54 13.567 -2.258 -9.744 1.00 9.31 H new ATOM 0 HH11 ARG A 54 10.298 -1.416 -8.684 1.00 10.53 H new ATOM 0 HH12 ARG A 54 10.098 -0.164 -9.914 1.00 10.53 H new ATOM 0 HH21 ARG A 54 13.298 -0.649 -11.319 1.00 10.77 H new ATOM 0 HH22 ARG A 54 11.790 0.269 -11.399 1.00 10.77 H new ATOM 868 N SER A 55 12.960 -6.379 -4.064 1.00 5.08 N ATOM 869 CA SER A 55 12.316 -7.063 -2.947 1.00 4.86 C ATOM 870 C SER A 55 11.206 -6.202 -2.359 1.00 3.87 C ATOM 871 O SER A 55 11.130 -6.009 -1.145 1.00 3.94 O ATOM 872 CB SER A 55 13.343 -7.405 -1.867 1.00 5.52 C ATOM 873 OG SER A 55 14.428 -8.140 -2.409 1.00 6.28 O ATOM 0 H SER A 55 12.992 -6.926 -4.924 1.00 5.08 H new ATOM 0 HA SER A 55 11.878 -7.988 -3.321 1.00 4.86 H new ATOM 0 HB2 SER A 55 13.714 -6.488 -1.410 1.00 5.52 H new ATOM 0 HB3 SER A 55 12.865 -7.985 -1.077 1.00 5.52 H new ATOM 0 HG SER A 55 15.272 -7.782 -2.061 1.00 6.28 H new ATOM 879 N ARG A 56 10.331 -5.703 -3.219 1.00 3.37 N ATOM 880 CA ARG A 56 9.373 -4.710 -2.794 1.00 2.70 C ATOM 881 C ARG A 56 7.965 -5.276 -2.671 1.00 2.24 C ATOM 882 O ARG A 56 7.699 -6.402 -3.083 1.00 2.47 O ATOM 883 CB ARG A 56 9.426 -3.514 -3.750 1.00 3.43 C ATOM 884 CG ARG A 56 8.275 -3.429 -4.750 1.00 4.15 C ATOM 885 CD ARG A 56 8.258 -4.598 -5.722 1.00 4.75 C ATOM 886 NE ARG A 56 6.938 -4.766 -6.325 1.00 5.53 N ATOM 887 CZ ARG A 56 6.383 -5.944 -6.594 1.00 6.18 C ATOM 888 NH1 ARG A 56 7.043 -7.073 -6.353 1.00 6.21 N ATOM 889 NH2 ARG A 56 5.157 -5.991 -7.094 1.00 7.08 N ATOM 0 H ARG A 56 10.269 -5.969 -4.202 1.00 3.37 H new ATOM 0 HA ARG A 56 9.644 -4.376 -1.792 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.442 -2.598 -3.160 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.364 -3.553 -4.303 1.00 3.43 H new ATOM 0 HG2 ARG A 56 7.330 -3.398 -4.208 1.00 4.15 H new ATOM 0 HG3 ARG A 56 8.353 -2.497 -5.310 1.00 4.15 H new ATOM 0 HD2 ARG A 56 9.000 -4.435 -6.504 1.00 4.75 H new ATOM 0 HD3 ARG A 56 8.541 -5.512 -5.200 1.00 4.75 H new ATOM 0 HE ARG A 56 6.408 -3.925 -6.554 1.00 5.53 H new ATOM 0 HH11 ARG A 56 7.983 -7.040 -5.959 1.00 6.21 H new ATOM 0 HH12 ARG A 56 6.609 -7.972 -6.563 1.00 6.21 H new ATOM 0 HH21 ARG A 56 4.645 -5.127 -7.270 1.00 7.08 H new ATOM 0 HH22 ARG A 56 4.725 -6.891 -7.303 1.00 7.08 H new ATOM 903 N TRP A 57 7.045 -4.469 -2.150 1.00 1.83 N ATOM 904 CA TRP A 57 5.860 -5.015 -1.552 1.00 1.49 C ATOM 905 C TRP A 57 4.660 -4.557 -2.341 1.00 1.19 C ATOM 906 O TRP A 57 4.768 -3.625 -3.130 1.00 1.43 O ATOM 907 CB TRP A 57 5.818 -4.558 -0.084 1.00 1.69 C ATOM 908 CG TRP A 57 7.153 -4.739 0.593 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.503 -5.729 1.454 1.00 1.56 C ATOM 910 CD2 TRP A 57 8.332 -3.922 0.434 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.824 -5.609 1.805 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.348 -4.504 1.207 1.00 2.70 C ATOM 913 CE3 TRP A 57 8.629 -2.764 -0.296 1.00 3.91 C ATOM 914 CZ2 TRP A 57 10.634 -3.977 1.274 1.00 3.65 C ATOM 915 CZ3 TRP A 57 9.905 -2.242 -0.229 1.00 4.90 C ATOM 916 CH2 TRP A 57 10.894 -2.850 0.549 1.00 4.75 C ATOM 0 H TRP A 57 7.107 -3.451 -2.136 1.00 1.83 H new ATOM 0 HA TRP A 57 5.857 -6.105 -1.568 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.525 -3.509 -0.037 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.058 -5.125 0.453 1.00 1.69 H new ATOM 0 HD1 TRP A 57 6.837 -6.500 1.811 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.333 -6.247 2.417 1.00 1.85 H new ATOM 0 HE3 TRP A 57 7.872 -2.287 -0.901 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 11.399 -4.443 1.878 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 10.143 -1.349 -0.787 1.00 4.90 H new ATOM 0 HH2 TRP A 57 11.884 -2.419 0.577 1.00 4.75 H new ATOM 927 N ASN A 58 3.552 -5.252 -2.201 1.00 0.91 N ATOM 928 CA ASN A 58 2.319 -4.835 -2.842 1.00 0.71 C ATOM 929 C ASN A 58 1.120 -5.328 -2.050 1.00 0.59 C ATOM 930 O ASN A 58 1.067 -6.492 -1.644 1.00 0.71 O ATOM 931 CB ASN A 58 2.255 -5.314 -4.301 1.00 0.74 C ATOM 932 CG ASN A 58 2.419 -6.816 -4.461 1.00 1.23 C ATOM 933 OD1 ASN A 58 1.446 -7.568 -4.453 1.00 2.05 O ATOM 934 ND2 ASN A 58 3.657 -7.260 -4.633 1.00 1.91 N ATOM 0 H ASN A 58 3.477 -6.107 -1.650 1.00 0.91 H new ATOM 0 HA ASN A 58 2.297 -3.745 -2.858 1.00 0.71 H new ATOM 0 HB2 ASN A 58 1.299 -5.015 -4.730 1.00 0.74 H new ATOM 0 HB3 ASN A 58 3.033 -4.810 -4.874 1.00 0.74 H new ATOM 0 HD21 ASN A 58 3.828 -8.257 -4.765 1.00 1.91 H new ATOM 0 HD22 ASN A 58 4.438 -6.604 -4.633 1.00 1.91 H new ATOM 941 N CYS A 59 0.178 -4.434 -1.805 1.00 0.55 N ATOM 942 CA CYS A 59 -1.030 -4.777 -1.080 1.00 0.50 C ATOM 943 C CYS A 59 -2.199 -4.861 -2.056 1.00 0.44 C ATOM 944 O CYS A 59 -2.334 -4.017 -2.944 1.00 0.56 O ATOM 945 CB CYS A 59 -1.332 -3.744 0.011 1.00 0.60 C ATOM 946 SG CYS A 59 0.027 -3.399 1.198 1.00 0.76 S ATOM 0 H CYS A 59 0.229 -3.459 -2.100 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.883 -5.743 -0.597 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.612 -2.808 -0.472 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.201 -4.084 0.574 1.00 0.60 H new ATOM 951 N LEU A 60 -3.043 -5.868 -1.902 1.00 0.36 N ATOM 952 CA LEU A 60 -4.119 -6.092 -2.836 1.00 0.34 C ATOM 953 C LEU A 60 -5.427 -5.974 -2.090 1.00 0.29 C ATOM 954 O LEU A 60 -5.686 -6.749 -1.180 1.00 0.32 O ATOM 955 CB LEU A 60 -3.991 -7.483 -3.452 1.00 0.44 C ATOM 956 CG LEU A 60 -2.579 -7.889 -3.887 1.00 1.27 C ATOM 957 CD1 LEU A 60 -2.555 -9.347 -4.318 1.00 1.90 C ATOM 958 CD2 LEU A 60 -2.083 -6.999 -5.014 1.00 1.85 C ATOM 0 H LEU A 60 -2.999 -6.540 -1.136 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.080 -5.355 -3.638 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.354 -8.215 -2.730 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.649 -7.538 -4.320 1.00 0.44 H new ATOM 0 HG LEU A 60 -1.912 -7.765 -3.034 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -1.545 -9.619 -4.624 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -2.864 -9.978 -3.485 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -3.239 -9.490 -5.155 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -1.079 -7.307 -5.305 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -2.753 -7.088 -5.870 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -2.061 -5.963 -4.677 1.00 1.85 H new ATOM 970 N PHE A 61 -6.270 -5.043 -2.474 1.00 0.29 N ATOM 971 CA PHE A 61 -7.436 -4.751 -1.657 1.00 0.28 C ATOM 972 C PHE A 61 -8.643 -5.482 -2.211 1.00 0.37 C ATOM 973 O PHE A 61 -9.034 -5.277 -3.360 1.00 0.48 O ATOM 974 CB PHE A 61 -7.776 -3.258 -1.618 1.00 0.32 C ATOM 975 CG PHE A 61 -6.695 -2.309 -1.165 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.369 -2.683 -1.038 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.029 -1.001 -0.898 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.415 -1.776 -0.666 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.079 -0.083 -0.524 1.00 0.57 C ATOM 980 CZ PHE A 61 -4.762 -0.466 -0.413 1.00 0.37 C ATOM 0 H PHE A 61 -6.180 -4.485 -3.323 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.194 -5.078 -0.646 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.089 -2.958 -2.618 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.636 -3.126 -0.962 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.083 -3.706 -1.235 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.060 -0.690 -0.984 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.385 -2.088 -0.570 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.365 0.938 -0.317 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.007 0.253 -0.130 1.00 0.37 H new ATOM 990 N ARG A 62 -9.234 -6.316 -1.383 1.00 0.47 N ATOM 991 CA ARG A 62 -10.314 -7.187 -1.803 1.00 0.66 C ATOM 992 C ARG A 62 -11.550 -6.927 -0.954 1.00 0.89 C ATOM 993 O ARG A 62 -11.450 -6.374 0.144 1.00 1.05 O ATOM 994 CB ARG A 62 -9.864 -8.642 -1.661 1.00 0.84 C ATOM 995 CG ARG A 62 -10.672 -9.638 -2.475 1.00 1.49 C ATOM 996 CD ARG A 62 -10.088 -11.032 -2.340 1.00 1.88 C ATOM 997 NE ARG A 62 -10.722 -11.995 -3.233 1.00 2.29 N ATOM 998 CZ ARG A 62 -10.129 -13.108 -3.663 1.00 2.86 C ATOM 999 NH1 ARG A 62 -8.902 -13.412 -3.252 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -10.769 -13.920 -4.490 1.00 3.63 N ATOM 0 H ARG A 62 -8.981 -6.411 -0.400 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.566 -6.988 -2.845 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -8.818 -8.715 -1.957 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.918 -8.924 -0.609 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -11.708 -9.637 -2.137 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -10.678 -9.340 -3.523 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -9.019 -10.996 -2.551 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -10.199 -11.370 -1.310 1.00 1.88 H new ATOM 0 HE ARG A 62 -11.674 -11.806 -3.546 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -8.412 -12.793 -2.606 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -8.450 -14.265 -3.583 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -11.715 -13.693 -4.797 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -10.316 -14.772 -4.820 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.707 -7.312 -1.470 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.960 -7.138 -0.749 1.00 1.48 C ATOM 1016 C GLN A 63 -15.038 -8.055 -1.317 1.00 2.09 C ATOM 1017 O GLN A 63 -15.840 -8.623 -0.575 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.409 -5.670 -0.805 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.738 -5.401 -0.115 1.00 2.15 C ATOM 1020 CD GLN A 63 -16.869 -5.162 -1.098 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -16.853 -5.665 -2.223 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -17.864 -4.397 -0.679 1.00 3.03 N ATOM 0 H GLN A 63 -12.805 -7.748 -2.387 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.800 -7.409 0.295 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.641 -5.048 -0.345 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.485 -5.364 -1.848 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -15.990 -6.248 0.523 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.636 -4.531 0.534 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -17.841 -3.999 0.260 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -18.654 -4.206 -1.295 1.00 3.03 H new ATOM 1031 N GLY A 64 -15.041 -8.207 -2.634 1.00 2.55 N ATOM 1032 CA GLY A 64 -16.066 -9.003 -3.279 1.00 3.28 C ATOM 1033 C GLY A 64 -15.614 -10.414 -3.590 1.00 3.41 C ATOM 1034 O GLY A 64 -15.246 -11.168 -2.690 1.00 3.88 O ATOM 0 H GLY A 64 -14.354 -7.795 -3.266 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -16.945 -9.043 -2.636 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -16.370 -8.513 -4.204 1.00 3.28 H new ATOM 1038 N ILE A 65 -15.628 -10.773 -4.866 1.00 3.49 N ATOM 1039 CA ILE A 65 -15.344 -12.144 -5.261 1.00 3.94 C ATOM 1040 C ILE A 65 -14.011 -12.280 -6.014 1.00 4.01 C ATOM 1041 O ILE A 65 -13.065 -12.869 -5.493 1.00 4.32 O ATOM 1042 CB ILE A 65 -16.514 -12.744 -6.067 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -16.152 -14.114 -6.652 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -16.949 -11.782 -7.140 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -15.861 -15.165 -5.604 1.00 5.57 C ATOM 0 H ILE A 65 -15.831 -10.139 -5.639 1.00 3.49 H new ATOM 0 HA ILE A 65 -15.237 -12.720 -4.342 1.00 3.94 H new ATOM 0 HB ILE A 65 -17.352 -12.904 -5.388 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -16.972 -14.459 -7.281 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -15.280 -14.005 -7.297 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -17.776 -12.215 -7.704 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -17.273 -10.848 -6.681 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -16.114 -11.586 -7.813 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -15.613 -16.107 -6.093 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -15.021 -14.843 -4.989 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -16.740 -15.304 -4.974 1.00 5.57 H new ATOM 1057 N ASN A 66 -13.923 -11.728 -7.218 1.00 4.06 N ATOM 1058 CA ASN A 66 -12.723 -11.880 -8.037 1.00 4.27 C ATOM 1059 C ASN A 66 -11.987 -10.554 -8.141 1.00 4.09 C ATOM 1060 O ASN A 66 -12.218 -9.654 -7.332 1.00 4.26 O ATOM 1061 CB ASN A 66 -13.074 -12.368 -9.448 1.00 4.76 C ATOM 1062 CG ASN A 66 -13.935 -13.614 -9.457 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -15.161 -13.528 -9.507 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -13.307 -14.777 -9.408 1.00 6.08 N ATOM 0 H ASN A 66 -14.663 -11.174 -7.649 1.00 4.06 H new ATOM 0 HA ASN A 66 -12.085 -12.621 -7.555 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -13.594 -11.572 -9.981 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -12.153 -12.568 -9.995 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -13.842 -15.646 -9.411 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -12.288 -14.805 -9.367 1.00 6.08 H new ATOM 1071 N MET A 67 -11.121 -10.426 -9.146 1.00 4.09 N ATOM 1072 CA MET A 67 -10.424 -9.167 -9.399 1.00 4.13 C ATOM 1073 C MET A 67 -11.416 -8.068 -9.783 1.00 3.60 C ATOM 1074 O MET A 67 -11.064 -6.889 -9.837 1.00 3.77 O ATOM 1075 CB MET A 67 -9.375 -9.326 -10.502 1.00 4.54 C ATOM 1076 CG MET A 67 -9.957 -9.604 -11.878 1.00 5.19 C ATOM 1077 SD MET A 67 -8.700 -9.616 -13.171 1.00 6.00 S ATOM 1078 CE MET A 67 -8.062 -7.946 -13.029 1.00 6.30 C ATOM 0 H MET A 67 -10.886 -11.176 -9.796 1.00 4.09 H new ATOM 0 HA MET A 67 -9.916 -8.882 -8.478 1.00 4.13 H new ATOM 0 HB2 MET A 67 -8.774 -8.418 -10.550 1.00 4.54 H new ATOM 0 HB3 MET A 67 -8.702 -10.140 -10.233 1.00 4.54 H new ATOM 0 HG2 MET A 67 -10.469 -10.566 -11.865 1.00 5.19 H new ATOM 0 HG3 MET A 67 -10.706 -8.848 -12.111 1.00 5.19 H new ATOM 0 HE1 MET A 67 -7.825 -7.561 -14.021 1.00 6.30 H new ATOM 0 HE2 MET A 67 -8.813 -7.308 -12.562 1.00 6.30 H new ATOM 0 HE3 MET A 67 -7.160 -7.952 -12.417 1.00 6.30 H new ATOM 1088 N LYS A 68 -12.651 -8.474 -10.061 1.00 3.30 N ATOM 1089 CA LYS A 68 -13.740 -7.539 -10.297 1.00 3.12 C ATOM 1090 C LYS A 68 -13.864 -6.585 -9.115 1.00 2.78 C ATOM 1091 O LYS A 68 -13.712 -5.376 -9.255 1.00 3.25 O ATOM 1092 CB LYS A 68 -15.052 -8.305 -10.496 1.00 3.71 C ATOM 1093 CG LYS A 68 -15.024 -9.255 -11.682 1.00 4.30 C ATOM 1094 CD LYS A 68 -16.345 -9.988 -11.850 1.00 4.85 C ATOM 1095 CE LYS A 68 -17.488 -9.028 -12.148 1.00 5.37 C ATOM 1096 NZ LYS A 68 -18.751 -9.747 -12.448 1.00 5.81 N ATOM 0 H LYS A 68 -12.922 -9.455 -10.128 1.00 3.30 H new ATOM 0 HA LYS A 68 -13.529 -6.963 -11.198 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -15.274 -8.872 -9.592 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -15.864 -7.591 -10.632 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -14.801 -8.696 -12.590 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -14.221 -9.980 -11.548 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -16.258 -10.713 -12.659 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -16.568 -10.549 -10.942 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -17.640 -8.368 -11.294 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -17.220 -8.396 -12.995 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -19.504 -9.058 -12.645 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -18.614 -10.358 -13.279 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -19.021 -10.330 -11.630 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.105 -7.150 -7.943 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.202 -6.376 -6.718 1.00 2.44 C ATOM 1112 C PHE A 69 -12.854 -6.401 -5.998 1.00 2.04 C ATOM 1113 O PHE A 69 -12.706 -7.053 -4.959 1.00 2.83 O ATOM 1114 CB PHE A 69 -15.294 -6.948 -5.814 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.670 -6.904 -6.417 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -17.518 -5.836 -6.167 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.113 -7.927 -7.237 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -18.782 -5.792 -6.723 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.375 -7.889 -7.796 1.00 5.20 C ATOM 1120 CZ PHE A 69 -19.218 -6.823 -7.522 1.00 6.01 C ATOM 0 H PHE A 69 -14.238 -8.153 -7.815 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.463 -5.346 -6.962 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -15.047 -7.982 -5.572 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -15.302 -6.394 -4.875 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -17.187 -5.029 -5.530 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.464 -8.765 -7.442 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -19.428 -4.948 -6.530 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.704 -8.687 -8.445 1.00 5.20 H new ATOM 0 HZ PHE A 69 -20.216 -6.802 -7.935 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.884 -5.674 -6.550 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.505 -5.803 -6.146 1.00 0.92 C ATOM 1132 C PHE A 70 -9.665 -4.629 -6.647 1.00 0.79 C ATOM 1133 O PHE A 70 -10.056 -3.929 -7.580 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.039 -7.087 -6.774 1.00 1.37 C ATOM 1135 CG PHE A 70 -8.759 -7.608 -6.266 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.533 -7.761 -4.916 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -7.772 -7.917 -7.150 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -7.323 -8.216 -4.463 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -6.570 -8.377 -6.723 1.00 3.59 C ATOM 1140 CZ PHE A 70 -6.413 -8.635 -5.267 1.00 3.63 C ATOM 0 H PHE A 70 -12.041 -4.985 -7.286 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.403 -5.807 -5.061 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -10.807 -7.846 -6.623 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -9.949 -6.934 -7.850 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -9.314 -7.521 -4.210 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -7.949 -7.794 -8.208 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.129 -8.223 -3.401 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -5.758 -8.549 -7.414 1.00 3.59 H new ATOM 0 HZ PHE A 70 -5.550 -9.165 -4.892 1.00 3.63 H new ATOM 1150 N THR A 71 -8.532 -4.412 -6.003 1.00 0.58 N ATOM 1151 CA THR A 71 -7.514 -3.493 -6.504 1.00 0.49 C ATOM 1152 C THR A 71 -6.148 -3.957 -6.057 1.00 0.40 C ATOM 1153 O THR A 71 -6.002 -4.642 -5.049 1.00 0.49 O ATOM 1154 CB THR A 71 -7.736 -2.002 -6.121 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.026 -1.159 -7.038 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.260 -1.676 -4.717 1.00 0.48 C ATOM 0 H THR A 71 -8.288 -4.863 -5.121 1.00 0.58 H new ATOM 0 HA THR A 71 -7.593 -3.520 -7.591 1.00 0.49 H new ATOM 0 HB THR A 71 -8.811 -1.826 -6.165 1.00 0.56 H new ATOM 0 HG1 THR A 71 -7.651 -0.531 -7.456 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.441 -0.622 -4.507 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.804 -2.288 -3.997 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.193 -1.884 -4.637 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.163 -3.603 -6.840 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.823 -4.099 -6.665 1.00 0.45 C ATOM 1166 C GLU A 72 -2.854 -2.926 -6.613 1.00 0.47 C ATOM 1167 O GLU A 72 -2.627 -2.253 -7.621 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.527 -5.041 -7.834 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.054 -5.262 -8.130 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.833 -6.011 -9.427 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.622 -5.355 -10.467 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -1.881 -7.259 -9.417 1.00 1.80 O ATOM 0 H GLU A 72 -5.269 -2.958 -7.623 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.712 -4.648 -5.730 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -3.988 -6.007 -7.627 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.005 -4.644 -8.729 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.547 -4.298 -8.179 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.601 -5.819 -7.310 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.301 -2.663 -5.437 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.506 -1.465 -5.230 1.00 0.52 C ATOM 1181 C VAL A 73 -0.095 -1.810 -4.742 1.00 0.64 C ATOM 1182 O VAL A 73 0.068 -2.609 -3.823 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.172 -0.519 -4.210 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.065 0.923 -4.677 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.621 -0.901 -3.956 1.00 0.53 C ATOM 0 H VAL A 73 -2.389 -3.262 -4.616 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.439 -0.962 -6.195 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.640 -0.618 -3.264 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.540 1.578 -3.947 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.015 1.195 -4.780 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.564 1.032 -5.640 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.057 -0.212 -3.232 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.180 -0.848 -4.890 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.666 -1.917 -3.563 1.00 0.53 H new ATOM 1195 N GLU A 74 0.921 -1.210 -5.362 1.00 0.80 N ATOM 1196 CA GLU A 74 2.310 -1.414 -4.953 1.00 0.96 C ATOM 1197 C GLU A 74 2.556 -0.850 -3.554 1.00 0.98 C ATOM 1198 O GLU A 74 2.143 0.263 -3.246 1.00 1.16 O ATOM 1199 CB GLU A 74 3.253 -0.739 -5.950 1.00 1.24 C ATOM 1200 CG GLU A 74 3.385 -1.462 -7.284 1.00 1.49 C ATOM 1201 CD GLU A 74 4.171 -2.755 -7.181 1.00 1.71 C ATOM 1202 OE1 GLU A 74 5.390 -2.697 -6.911 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.575 -3.834 -7.359 1.00 2.02 O ATOM 0 H GLU A 74 0.807 -0.576 -6.153 1.00 0.80 H new ATOM 0 HA GLU A 74 2.505 -2.486 -4.935 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.900 0.276 -6.135 1.00 1.24 H new ATOM 0 HB3 GLU A 74 4.241 -0.656 -5.497 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.390 -1.678 -7.674 1.00 1.49 H new ATOM 0 HG3 GLU A 74 3.873 -0.803 -8.002 1.00 1.49 H new ATOM 1210 N ALA A 75 3.251 -1.616 -2.725 1.00 1.06 N ATOM 1211 CA ALA A 75 3.520 -1.231 -1.347 1.00 1.12 C ATOM 1212 C ALA A 75 5.009 -0.973 -1.122 1.00 1.43 C ATOM 1213 O ALA A 75 5.739 -1.762 -0.546 1.00 1.80 O ATOM 1214 CB ALA A 75 3.009 -2.280 -0.391 1.00 1.02 C ATOM 0 H ALA A 75 3.643 -2.520 -2.988 1.00 1.06 H new ATOM 0 HA ALA A 75 2.989 -0.299 -1.152 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.220 -1.973 0.633 1.00 1.02 H new ATOM 0 HB2 ALA A 75 1.933 -2.397 -0.520 1.00 1.02 H new ATOM 0 HB3 ALA A 75 3.504 -3.230 -0.594 1.00 1.02 H new ATOM 1220 N TYR A 76 5.433 0.104 -1.691 1.00 1.71 N ATOM 1221 CA TYR A 76 6.721 0.737 -1.415 1.00 2.10 C ATOM 1222 C TYR A 76 6.756 1.569 -0.109 1.00 2.93 C ATOM 1223 O TYR A 76 5.792 1.624 0.643 1.00 3.37 O ATOM 1224 CB TYR A 76 7.122 1.605 -2.587 1.00 2.06 C ATOM 1225 CG TYR A 76 8.126 0.962 -3.511 1.00 2.42 C ATOM 1226 CD1 TYR A 76 8.024 1.117 -4.888 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.182 0.208 -3.011 1.00 2.63 C ATOM 1228 CE1 TYR A 76 8.941 0.546 -5.739 1.00 3.55 C ATOM 1229 CE2 TYR A 76 10.101 -0.367 -3.859 1.00 3.23 C ATOM 1230 CZ TYR A 76 9.979 -0.196 -5.223 1.00 3.62 C ATOM 1231 OH TYR A 76 10.900 -0.763 -6.070 1.00 4.28 O ATOM 0 H TYR A 76 4.886 0.604 -2.392 1.00 1.71 H new ATOM 0 HA TYR A 76 7.433 -0.076 -1.270 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.230 1.861 -3.158 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.538 2.539 -2.209 1.00 2.06 H new ATOM 0 HD1 TYR A 76 7.210 1.696 -5.297 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.282 0.072 -1.944 1.00 2.63 H new ATOM 0 HE1 TYR A 76 8.847 0.679 -6.807 1.00 3.55 H new ATOM 0 HE2 TYR A 76 10.916 -0.951 -3.458 1.00 3.23 H new ATOM 0 HH TYR A 76 11.568 -1.253 -5.546 1.00 4.28 H new ATOM 1241 N ARG A 77 7.885 2.260 0.081 1.00 3.45 N ATOM 1242 CA ARG A 77 8.422 2.696 1.388 1.00 4.39 C ATOM 1243 C ARG A 77 7.642 3.879 2.046 1.00 4.69 C ATOM 1244 O ARG A 77 6.619 4.301 1.533 1.00 4.62 O ATOM 1245 CB ARG A 77 9.887 3.093 1.153 1.00 5.09 C ATOM 1246 CG ARG A 77 10.688 2.145 0.264 1.00 5.52 C ATOM 1247 CD ARG A 77 10.715 2.595 -1.190 1.00 6.16 C ATOM 1248 NE ARG A 77 11.659 1.810 -1.985 1.00 6.62 N ATOM 1249 CZ ARG A 77 12.088 2.161 -3.200 1.00 7.29 C ATOM 1250 NH1 ARG A 77 11.659 3.284 -3.767 1.00 7.66 N ATOM 1251 NH2 ARG A 77 12.930 1.371 -3.855 1.00 7.82 N ATOM 0 H ARG A 77 8.478 2.545 -0.698 1.00 3.45 H new ATOM 0 HA ARG A 77 8.317 1.871 2.093 1.00 4.39 H new ATOM 0 HB2 ARG A 77 9.909 4.087 0.707 1.00 5.09 H new ATOM 0 HB3 ARG A 77 10.386 3.166 2.120 1.00 5.09 H new ATOM 0 HG2 ARG A 77 11.709 2.076 0.639 1.00 5.52 H new ATOM 0 HG3 ARG A 77 10.258 1.145 0.324 1.00 5.52 H new ATOM 0 HD2 ARG A 77 9.716 2.504 -1.617 1.00 6.16 H new ATOM 0 HD3 ARG A 77 10.987 3.649 -1.239 1.00 6.16 H new ATOM 0 HE ARG A 77 12.012 0.940 -1.586 1.00 6.62 H new ATOM 0 HH11 ARG A 77 10.998 3.884 -3.274 1.00 7.66 H new ATOM 0 HH12 ARG A 77 11.991 3.546 -4.695 1.00 7.66 H new ATOM 0 HH21 ARG A 77 13.247 0.500 -3.430 1.00 7.82 H new ATOM 0 HH22 ARG A 77 13.260 1.635 -4.783 1.00 7.82 H new ATOM 1265 N PRO A 78 8.058 4.356 3.268 1.00 5.32 N ATOM 1266 CA PRO A 78 7.298 5.354 4.049 1.00 5.79 C ATOM 1267 C PRO A 78 7.862 6.792 4.132 1.00 6.24 C ATOM 1268 O PRO A 78 7.157 7.708 4.559 1.00 6.84 O ATOM 1269 CB PRO A 78 7.399 4.715 5.421 1.00 6.56 C ATOM 1270 CG PRO A 78 8.824 4.243 5.478 1.00 6.72 C ATOM 1271 CD PRO A 78 9.218 3.896 4.054 1.00 5.88 C ATOM 0 HA PRO A 78 6.318 5.527 3.604 1.00 5.79 H new ATOM 0 HB2 PRO A 78 7.180 5.429 6.215 1.00 6.56 H new ATOM 0 HB3 PRO A 78 6.697 3.889 5.533 1.00 6.56 H new ATOM 0 HG2 PRO A 78 9.474 5.019 5.883 1.00 6.72 H new ATOM 0 HG3 PRO A 78 8.920 3.375 6.130 1.00 6.72 H new ATOM 0 HD2 PRO A 78 10.135 4.403 3.754 1.00 5.88 H new ATOM 0 HD3 PRO A 78 9.390 2.827 3.932 1.00 5.88 H new ATOM 1279 N ASP A 79 9.106 6.982 3.753 1.00 6.17 N ATOM 1280 CA ASP A 79 9.823 8.251 3.998 1.00 6.76 C ATOM 1281 C ASP A 79 9.895 9.140 2.748 1.00 6.75 C ATOM 1282 O ASP A 79 9.379 8.771 1.711 1.00 6.33 O ATOM 1283 CB ASP A 79 11.203 7.978 4.567 1.00 6.97 C ATOM 1284 CG ASP A 79 11.184 7.780 6.070 1.00 7.82 C ATOM 1285 OD1 ASP A 79 11.197 6.618 6.529 1.00 8.31 O ATOM 1286 OD2 ASP A 79 11.175 8.791 6.807 1.00 8.19 O ATOM 0 H ASP A 79 9.662 6.277 3.268 1.00 6.17 H new ATOM 0 HA ASP A 79 9.248 8.811 4.736 1.00 6.76 H new ATOM 0 HB2 ASP A 79 11.619 7.089 4.092 1.00 6.97 H new ATOM 0 HB3 ASP A 79 11.864 8.809 4.322 1.00 6.97 H new ATOM 1291 N LEU A 80 10.490 10.327 2.833 1.00 7.42 N ATOM 1292 CA LEU A 80 10.410 11.272 1.710 1.00 7.70 C ATOM 1293 C LEU A 80 11.554 11.181 0.696 1.00 7.67 C ATOM 1294 O LEU A 80 11.339 10.896 -0.485 1.00 7.65 O ATOM 1295 CB LEU A 80 10.289 12.701 2.237 1.00 8.65 C ATOM 1296 CG LEU A 80 9.991 13.771 1.181 1.00 9.25 C ATOM 1297 CD1 LEU A 80 8.708 13.445 0.432 1.00 9.43 C ATOM 1298 CD2 LEU A 80 9.889 15.141 1.831 1.00 9.75 C ATOM 0 H LEU A 80 11.019 10.656 3.640 1.00 7.42 H new ATOM 0 HA LEU A 80 9.516 10.984 1.157 1.00 7.70 H new ATOM 0 HB2 LEU A 80 9.500 12.727 2.988 1.00 8.65 H new ATOM 0 HB3 LEU A 80 11.219 12.963 2.742 1.00 8.65 H new ATOM 0 HG LEU A 80 10.813 13.784 0.465 1.00 9.25 H new ATOM 0 HD11 LEU A 80 8.515 14.217 -0.313 1.00 9.43 H new ATOM 0 HD12 LEU A 80 8.812 12.480 -0.064 1.00 9.43 H new ATOM 0 HD13 LEU A 80 7.876 13.404 1.136 1.00 9.43 H new ATOM 0 HD21 LEU A 80 9.677 15.891 1.069 1.00 9.75 H new ATOM 0 HD22 LEU A 80 9.086 15.135 2.568 1.00 9.75 H new ATOM 0 HD23 LEU A 80 10.831 15.381 2.324 1.00 9.75 H new ATOM 1310 N LYS A 81 12.745 11.438 1.169 1.00 7.90 N ATOM 1311 CA LYS A 81 13.905 11.693 0.294 1.00 8.21 C ATOM 1312 C LYS A 81 14.796 10.472 -0.036 1.00 7.50 C ATOM 1313 O LYS A 81 15.073 10.208 -1.204 1.00 7.67 O ATOM 1314 CB LYS A 81 14.768 12.794 0.910 1.00 9.15 C ATOM 1315 CG LYS A 81 15.934 13.237 0.036 1.00 9.83 C ATOM 1316 CD LYS A 81 15.484 13.791 -1.316 1.00 10.54 C ATOM 1317 CE LYS A 81 14.815 15.159 -1.204 1.00 11.27 C ATOM 1318 NZ LYS A 81 13.407 15.087 -0.719 1.00 11.75 N ATOM 0 H LYS A 81 12.959 11.481 2.165 1.00 7.90 H new ATOM 0 HA LYS A 81 13.473 11.988 -0.662 1.00 8.21 H new ATOM 0 HB2 LYS A 81 14.138 13.658 1.121 1.00 9.15 H new ATOM 0 HB3 LYS A 81 15.158 12.443 1.865 1.00 9.15 H new ATOM 0 HG2 LYS A 81 16.508 13.999 0.563 1.00 9.83 H new ATOM 0 HG3 LYS A 81 16.602 12.391 -0.127 1.00 9.83 H new ATOM 0 HD2 LYS A 81 16.347 13.867 -1.977 1.00 10.54 H new ATOM 0 HD3 LYS A 81 14.790 13.089 -1.778 1.00 10.54 H new ATOM 0 HE2 LYS A 81 15.394 15.785 -0.525 1.00 11.27 H new ATOM 0 HE3 LYS A 81 14.832 15.645 -2.179 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 12.801 15.679 -1.323 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 13.077 14.102 -0.757 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 13.360 15.430 0.262 1.00 11.75 H new ATOM 1332 N HIS A 82 15.247 9.746 0.986 1.00 6.91 N ATOM 1333 CA HIS A 82 16.383 8.803 0.839 1.00 6.47 C ATOM 1334 C HIS A 82 16.020 7.573 -0.016 1.00 5.53 C ATOM 1335 O HIS A 82 14.858 7.254 -0.174 1.00 5.01 O ATOM 1336 CB HIS A 82 16.877 8.341 2.223 1.00 6.67 C ATOM 1337 CG HIS A 82 16.930 9.430 3.253 1.00 7.18 C ATOM 1338 ND1 HIS A 82 15.895 9.699 4.130 1.00 7.40 N ATOM 1339 CD2 HIS A 82 17.905 10.320 3.544 1.00 7.76 C ATOM 1340 CE1 HIS A 82 16.237 10.708 4.908 1.00 8.08 C ATOM 1341 NE2 HIS A 82 17.450 11.103 4.575 1.00 8.33 N ATOM 0 H HIS A 82 14.853 9.784 1.926 1.00 6.91 H new ATOM 0 HA HIS A 82 17.177 9.342 0.322 1.00 6.47 H new ATOM 0 HB2 HIS A 82 16.223 7.547 2.583 1.00 6.67 H new ATOM 0 HB3 HIS A 82 17.872 7.909 2.116 1.00 6.67 H new ATOM 0 HD2 HIS A 82 18.865 10.400 3.055 1.00 7.76 H new ATOM 0 HE1 HIS A 82 15.626 11.138 5.687 1.00 8.08 H new ATOM 0 HE2 HIS A 82 17.966 11.866 5.012 1.00 8.33 H new ATOM 1350 N PRO A 83 17.023 6.861 -0.574 1.00 5.57 N ATOM 1351 CA PRO A 83 16.787 5.673 -1.422 1.00 4.95 C ATOM 1352 C PRO A 83 16.244 4.482 -0.623 1.00 4.13 C ATOM 1353 O PRO A 83 16.938 3.935 0.227 1.00 4.33 O ATOM 1354 CB PRO A 83 18.178 5.343 -1.982 1.00 5.64 C ATOM 1355 CG PRO A 83 19.039 6.519 -1.665 1.00 6.46 C ATOM 1356 CD PRO A 83 18.457 7.145 -0.435 1.00 6.50 C ATOM 0 HA PRO A 83 16.039 5.871 -2.190 1.00 4.95 H new ATOM 0 HB2 PRO A 83 18.576 4.435 -1.529 1.00 5.64 H new ATOM 0 HB3 PRO A 83 18.135 5.170 -3.057 1.00 5.64 H new ATOM 0 HG2 PRO A 83 20.071 6.211 -1.494 1.00 6.46 H new ATOM 0 HG3 PRO A 83 19.051 7.227 -2.494 1.00 6.46 H new ATOM 0 HD2 PRO A 83 18.870 6.709 0.475 1.00 6.50 H new ATOM 0 HD3 PRO A 83 18.655 8.216 -0.394 1.00 6.50 H new ATOM 1364 N LEU A 84 15.028 4.046 -0.968 1.00 3.60 N ATOM 1365 CA LEU A 84 14.265 3.043 -0.197 1.00 3.05 C ATOM 1366 C LEU A 84 13.961 3.525 1.199 1.00 2.76 C ATOM 1367 O LEU A 84 12.831 3.878 1.518 1.00 3.30 O ATOM 1368 CB LEU A 84 14.944 1.666 -0.093 1.00 3.01 C ATOM 1369 CG LEU A 84 15.034 0.843 -1.380 1.00 4.01 C ATOM 1370 CD1 LEU A 84 15.970 1.486 -2.382 1.00 4.57 C ATOM 1371 CD2 LEU A 84 15.488 -0.572 -1.062 1.00 4.67 C ATOM 0 H LEU A 84 14.536 4.379 -1.797 1.00 3.60 H new ATOM 0 HA LEU A 84 13.346 2.917 -0.770 1.00 3.05 H new ATOM 0 HB2 LEU A 84 15.955 1.813 0.288 1.00 3.01 H new ATOM 0 HB3 LEU A 84 14.406 1.077 0.650 1.00 3.01 H new ATOM 0 HG LEU A 84 14.042 0.807 -1.830 1.00 4.01 H new ATOM 0 HD11 LEU A 84 16.011 0.876 -3.285 1.00 4.57 H new ATOM 0 HD12 LEU A 84 15.606 2.482 -2.633 1.00 4.57 H new ATOM 0 HD13 LEU A 84 16.968 1.563 -1.950 1.00 4.57 H new ATOM 0 HD21 LEU A 84 15.549 -1.150 -1.984 1.00 4.67 H new ATOM 0 HD22 LEU A 84 16.469 -0.541 -0.587 1.00 4.67 H new ATOM 0 HD23 LEU A 84 14.772 -1.041 -0.387 1.00 4.67 H new ATOM 1383 N CYS A 85 14.989 3.518 2.008 1.00 2.66 N ATOM 1384 CA CYS A 85 14.908 3.869 3.421 1.00 3.24 C ATOM 1385 C CYS A 85 14.106 5.124 3.630 1.00 3.77 C ATOM 1386 O CYS A 85 13.229 5.214 4.486 1.00 4.31 O ATOM 1387 CB CYS A 85 16.320 4.047 3.984 1.00 3.79 C ATOM 1388 SG CYS A 85 17.464 4.915 2.872 1.00 4.64 S ATOM 0 H CYS A 85 15.930 3.264 1.706 1.00 2.66 H new ATOM 0 HA CYS A 85 14.401 3.060 3.947 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.257 4.597 4.923 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.732 3.065 4.216 1.00 3.79 H new ATOM 1393 N GLY A 86 14.450 6.068 2.828 1.00 4.00 N ATOM 1394 CA GLY A 86 13.812 7.360 2.839 1.00 4.75 C ATOM 1395 C GLY A 86 12.826 7.579 1.705 1.00 4.42 C ATOM 1396 O GLY A 86 12.524 8.710 1.398 1.00 5.13 O ATOM 0 H GLY A 86 15.190 5.976 2.133 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.291 7.487 3.788 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.580 8.132 2.791 1.00 4.75 H new ATOM 1400 N LYS A 87 12.339 6.531 1.064 1.00 3.51 N ATOM 1401 CA LYS A 87 11.398 6.710 -0.045 1.00 3.25 C ATOM 1402 C LYS A 87 10.003 6.331 0.403 1.00 2.57 C ATOM 1403 O LYS A 87 9.837 5.878 1.523 1.00 2.57 O ATOM 1404 CB LYS A 87 11.807 5.888 -1.269 1.00 3.54 C ATOM 1405 CG LYS A 87 12.855 6.551 -2.162 1.00 4.49 C ATOM 1406 CD LYS A 87 12.513 8.002 -2.507 1.00 5.19 C ATOM 1407 CE LYS A 87 11.229 8.124 -3.315 1.00 6.18 C ATOM 1408 NZ LYS A 87 11.396 7.640 -4.711 1.00 6.95 N ATOM 0 H LYS A 87 12.569 5.561 1.281 1.00 3.51 H new ATOM 0 HA LYS A 87 11.412 7.760 -0.337 1.00 3.25 H new ATOM 0 HB2 LYS A 87 12.193 4.926 -0.931 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.918 5.683 -1.866 1.00 3.54 H new ATOM 0 HG2 LYS A 87 13.823 6.521 -1.662 1.00 4.49 H new ATOM 0 HG3 LYS A 87 12.955 5.978 -3.084 1.00 4.49 H new ATOM 0 HD2 LYS A 87 12.415 8.577 -1.586 1.00 5.19 H new ATOM 0 HD3 LYS A 87 13.336 8.441 -3.071 1.00 5.19 H new ATOM 0 HE2 LYS A 87 10.439 7.554 -2.827 1.00 6.18 H new ATOM 0 HE3 LYS A 87 10.908 9.166 -3.329 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 10.464 7.566 -5.167 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 11.989 8.310 -5.242 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 11.852 6.705 -4.702 1.00 6.95 H new ATOM 1422 N ARG A 88 8.996 6.515 -0.449 1.00 2.48 N ATOM 1423 CA ARG A 88 7.616 6.385 0.007 1.00 2.17 C ATOM 1424 C ARG A 88 6.681 5.870 -1.073 1.00 1.70 C ATOM 1425 O ARG A 88 6.948 6.021 -2.262 1.00 2.18 O ATOM 1426 CB ARG A 88 7.096 7.741 0.482 1.00 3.14 C ATOM 1427 CG ARG A 88 5.798 7.677 1.272 1.00 3.80 C ATOM 1428 CD ARG A 88 5.377 9.059 1.742 1.00 4.78 C ATOM 1429 NE ARG A 88 6.465 9.747 2.435 1.00 5.43 N ATOM 1430 CZ ARG A 88 6.305 10.834 3.187 1.00 6.34 C ATOM 1431 NH1 ARG A 88 5.096 11.354 3.368 1.00 6.69 N ATOM 1432 NH2 ARG A 88 7.357 11.398 3.770 1.00 7.15 N ATOM 0 H ARG A 88 9.106 6.749 -1.436 1.00 2.48 H new ATOM 0 HA ARG A 88 7.628 5.659 0.820 1.00 2.17 H new ATOM 0 HB2 ARG A 88 7.860 8.213 1.100 1.00 3.14 H new ATOM 0 HB3 ARG A 88 6.947 8.383 -0.386 1.00 3.14 H new ATOM 0 HG2 ARG A 88 5.012 7.245 0.652 1.00 3.80 H new ATOM 0 HG3 ARG A 88 5.924 7.019 2.132 1.00 3.80 H new ATOM 0 HD2 ARG A 88 5.057 9.653 0.886 1.00 4.78 H new ATOM 0 HD3 ARG A 88 4.519 8.971 2.408 1.00 4.78 H new ATOM 0 HE ARG A 88 7.408 9.370 2.336 1.00 5.43 H new ATOM 0 HH11 ARG A 88 4.283 10.920 2.930 1.00 6.69 H new ATOM 0 HH12 ARG A 88 4.980 12.187 3.945 1.00 6.69 H new ATOM 0 HH21 ARG A 88 8.287 10.998 3.641 1.00 7.15 H new ATOM 0 HH22 ARG A 88 7.235 12.231 4.346 1.00 7.15 H new ATOM 1446 N TYR A 89 5.638 5.185 -0.632 1.00 1.34 N ATOM 1447 CA TYR A 89 4.425 5.018 -1.397 1.00 1.31 C ATOM 1448 C TYR A 89 3.249 4.821 -0.447 1.00 1.05 C ATOM 1449 O TYR A 89 3.178 3.839 0.309 1.00 1.43 O ATOM 1450 CB TYR A 89 4.527 3.883 -2.413 1.00 2.13 C ATOM 1451 CG TYR A 89 4.774 4.385 -3.824 1.00 2.67 C ATOM 1452 CD1 TYR A 89 3.888 5.252 -4.451 1.00 3.40 C ATOM 1453 CD2 TYR A 89 5.902 3.983 -4.529 1.00 2.94 C ATOM 1454 CE1 TYR A 89 4.121 5.708 -5.733 1.00 4.21 C ATOM 1455 CE2 TYR A 89 6.139 4.433 -5.814 1.00 3.68 C ATOM 1456 CZ TYR A 89 5.207 5.313 -6.410 1.00 4.27 C ATOM 1457 OH TYR A 89 5.483 5.756 -7.682 1.00 5.18 O ATOM 0 H TYR A 89 5.615 4.726 0.279 1.00 1.34 H new ATOM 0 HA TYR A 89 4.263 5.924 -1.981 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.336 3.212 -2.123 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.606 3.300 -2.395 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.001 5.575 -3.926 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.605 3.307 -4.065 1.00 2.94 H new ATOM 0 HE1 TYR A 89 3.421 6.389 -6.194 1.00 4.21 H new ATOM 0 HE2 TYR A 89 7.020 4.118 -6.353 1.00 3.68 H new ATOM 0 HH TYR A 89 6.319 5.351 -7.995 1.00 5.18 H new ATOM 1467 N GLU A 90 2.368 5.804 -0.442 1.00 0.79 N ATOM 1468 CA GLU A 90 1.150 5.735 0.331 1.00 0.71 C ATOM 1469 C GLU A 90 -0.002 5.355 -0.561 1.00 0.53 C ATOM 1470 O GLU A 90 -0.215 5.961 -1.617 1.00 0.63 O ATOM 1471 CB GLU A 90 0.854 7.070 1.014 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.592 7.204 1.469 1.00 1.28 C ATOM 1473 CD GLU A 90 -0.880 8.545 2.115 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.150 9.517 1.380 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -0.847 8.634 3.360 1.00 2.07 O ATOM 0 H GLU A 90 2.479 6.668 -0.973 1.00 0.79 H new ATOM 0 HA GLU A 90 1.281 4.977 1.103 1.00 0.71 H new ATOM 0 HB2 GLU A 90 1.511 7.183 1.876 1.00 1.07 H new ATOM 0 HB3 GLU A 90 1.088 7.882 0.326 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.252 7.069 0.612 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -0.821 6.408 2.177 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.728 4.342 -0.142 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.904 3.923 -0.852 1.00 0.43 C ATOM 1484 C LEU A 91 -3.102 4.064 0.045 1.00 0.43 C ATOM 1485 O LEU A 91 -3.152 3.496 1.135 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.800 2.478 -1.365 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.653 1.620 -0.793 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.813 0.170 -1.209 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.706 2.114 -1.272 1.00 1.02 C ATOM 0 H LEU A 91 -0.518 3.794 0.692 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.008 4.564 -1.727 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.742 1.973 -1.151 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.694 2.509 -2.449 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.702 1.705 0.293 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.006 -0.419 -0.796 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.762 -0.214 -0.834 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.798 0.100 -2.297 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.491 1.486 -0.850 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.748 2.065 -2.360 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.853 3.145 -0.950 1.00 1.02 H new ATOM 1501 N SER A 92 -4.058 4.839 -0.401 1.00 0.43 N ATOM 1502 CA SER A 92 -5.209 5.123 0.410 1.00 0.48 C ATOM 1503 C SER A 92 -6.483 4.788 -0.306 1.00 0.43 C ATOM 1504 O SER A 92 -6.735 5.244 -1.418 1.00 0.51 O ATOM 1505 CB SER A 92 -5.213 6.583 0.813 1.00 0.59 C ATOM 1506 OG SER A 92 -3.939 6.994 1.274 1.00 1.23 O ATOM 0 H SER A 92 -4.060 5.283 -1.320 1.00 0.43 H new ATOM 0 HA SER A 92 -5.150 4.499 1.302 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.509 7.196 -0.038 1.00 0.59 H new ATOM 0 HB3 SER A 92 -5.954 6.744 1.596 1.00 0.59 H new ATOM 0 HG SER A 92 -3.972 7.941 1.525 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.287 4.003 0.354 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.569 3.645 -0.156 1.00 0.54 C ATOM 1514 C ALA A 93 -9.576 4.633 0.321 1.00 0.62 C ATOM 1515 O ALA A 93 -10.092 4.555 1.434 1.00 0.83 O ATOM 1516 CB ALA A 93 -8.926 2.261 0.247 1.00 0.66 C ATOM 0 H ALA A 93 -7.066 3.595 1.262 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.549 3.665 -1.246 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -9.908 2.008 -0.152 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.184 1.565 -0.145 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -8.948 2.193 1.335 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.825 5.572 -0.529 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.559 6.754 -0.142 1.00 1.26 C ATOM 1524 C ARG A 94 -11.825 6.891 -0.892 1.00 0.70 C ATOM 1525 O ARG A 94 -12.044 6.275 -1.931 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.727 8.025 -0.355 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.346 7.999 0.276 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.636 9.336 0.102 1.00 4.38 C ATOM 1529 NE ARG A 94 -8.333 10.427 0.788 1.00 5.11 N ATOM 1530 CZ ARG A 94 -8.707 11.572 0.206 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -8.450 11.792 -1.077 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -9.321 12.506 0.919 1.00 6.80 N ATOM 0 H ARG A 94 -9.533 5.553 -1.506 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.784 6.635 0.918 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.618 8.195 -1.426 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.279 8.874 0.048 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.432 7.765 1.337 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.751 7.206 -0.177 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -6.619 9.258 0.487 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -7.558 9.568 -0.960 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.548 10.305 1.778 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -7.963 11.085 -1.628 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -8.739 12.668 -1.512 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -9.508 12.351 1.910 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -9.607 13.380 0.477 1.00 6.80 H new ATOM 1546 N MET A 95 -12.641 7.688 -0.254 1.00 0.84 N ATOM 1547 CA MET A 95 -13.917 8.161 -0.733 1.00 1.41 C ATOM 1548 C MET A 95 -14.094 7.990 -2.247 1.00 1.48 C ATOM 1549 O MET A 95 -15.052 7.368 -2.706 1.00 2.12 O ATOM 1550 CB MET A 95 -14.030 9.648 -0.375 1.00 2.09 C ATOM 1551 CG MET A 95 -13.299 10.029 0.915 1.00 2.32 C ATOM 1552 SD MET A 95 -13.324 11.803 1.235 1.00 3.26 S ATOM 1553 CE MET A 95 -12.388 11.865 2.763 1.00 3.27 C ATOM 0 H MET A 95 -12.419 8.048 0.674 1.00 0.84 H new ATOM 0 HA MET A 95 -14.698 7.566 -0.260 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.630 10.242 -1.197 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.084 9.909 -0.276 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.757 9.507 1.755 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.265 9.690 0.855 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.310 12.899 3.100 1.00 3.27 H new ATOM 0 HE2 MET A 95 -12.895 11.273 3.525 1.00 3.27 H new ATOM 0 HE3 MET A 95 -11.389 11.462 2.595 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.157 8.551 -3.006 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.200 8.498 -4.465 1.00 1.45 C ATOM 1565 C ASP A 96 -12.576 7.207 -4.991 1.00 1.30 C ATOM 1566 O ASP A 96 -13.273 6.310 -5.463 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.442 9.687 -5.062 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.816 11.005 -4.427 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.809 11.617 -4.861 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -12.110 11.440 -3.488 1.00 2.86 O ATOM 0 H ASP A 96 -12.352 9.052 -2.631 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.248 8.534 -4.762 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -11.371 9.524 -4.944 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -12.640 9.737 -6.133 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.256 7.123 -4.894 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.499 6.014 -5.461 1.00 0.62 C ATOM 1577 C ALA A 97 -9.383 5.604 -4.523 1.00 0.60 C ATOM 1578 O ALA A 97 -9.321 6.032 -3.370 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.898 6.410 -6.809 1.00 0.55 C ATOM 0 H ALA A 97 -10.680 7.820 -4.421 1.00 0.84 H new ATOM 0 HA ALA A 97 -11.182 5.176 -5.602 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -9.336 5.570 -7.218 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.698 6.682 -7.498 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.231 7.261 -6.674 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.508 4.769 -5.041 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.301 4.395 -4.352 1.00 0.34 C ATOM 1587 C ILE A 98 -6.201 5.363 -4.727 1.00 0.32 C ATOM 1588 O ILE A 98 -5.766 5.437 -5.881 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.903 2.944 -4.673 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.947 2.022 -4.044 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.491 2.633 -4.140 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.647 1.705 -2.621 1.00 0.50 C ATOM 0 H ILE A 98 -8.618 4.331 -5.956 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.470 4.445 -3.276 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.875 2.790 -5.752 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.928 2.493 -4.109 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -8.000 1.095 -4.616 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.231 1.602 -4.379 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.770 3.306 -4.605 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.472 2.771 -3.059 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.420 1.047 -2.224 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.679 1.208 -2.555 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.622 2.627 -2.040 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.798 6.134 -3.746 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.830 7.188 -3.947 1.00 0.53 C ATOM 1606 C TYR A 99 -3.424 6.643 -3.772 1.00 0.63 C ATOM 1607 O TYR A 99 -3.139 5.951 -2.798 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.111 8.342 -2.983 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.302 9.189 -3.389 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.591 8.674 -3.353 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.140 10.509 -3.791 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.681 9.448 -3.704 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -7.225 11.289 -4.146 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.484 10.734 -4.170 1.00 2.77 C ATOM 1615 OH TYR A 99 -9.580 11.530 -4.441 1.00 3.67 O ATOM 0 H TYR A 99 -6.131 6.049 -2.786 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.913 7.572 -4.964 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.285 7.938 -1.985 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.227 8.977 -2.921 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.745 7.650 -3.045 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -5.148 10.934 -3.827 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.681 9.050 -3.615 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -7.085 12.329 -4.403 1.00 2.26 H new ATOM 0 HH TYR A 99 -10.335 11.248 -3.884 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.562 6.948 -4.727 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.237 6.351 -4.791 1.00 0.91 C ATOM 1627 C PHE A 100 -0.193 7.416 -5.117 1.00 1.25 C ATOM 1628 O PHE A 100 -0.194 7.974 -6.215 1.00 1.90 O ATOM 1629 CB PHE A 100 -1.251 5.269 -5.871 1.00 1.20 C ATOM 1630 CG PHE A 100 -0.012 4.421 -5.944 1.00 1.73 C ATOM 1631 CD1 PHE A 100 0.824 4.491 -7.045 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.303 3.540 -4.924 1.00 2.19 C ATOM 1633 CE1 PHE A 100 1.951 3.699 -7.129 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.431 2.747 -5.002 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.255 2.825 -6.106 1.00 3.12 C ATOM 0 H PHE A 100 -2.758 7.612 -5.476 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.977 5.911 -3.828 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -2.108 4.618 -5.699 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -1.403 5.746 -6.839 1.00 1.20 H new ATOM 0 HD1 PHE A 100 0.591 5.174 -7.849 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.340 3.472 -4.059 1.00 2.19 H new ATOM 0 HE1 PHE A 100 2.594 3.763 -7.994 1.00 2.83 H new ATOM 0 HE2 PHE A 100 1.668 2.065 -4.198 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.136 2.203 -6.169 1.00 3.12 H new ATOM 1645 N LYS A 101 0.682 7.716 -4.166 1.00 1.07 N ATOM 1646 CA LYS A 101 1.663 8.779 -4.362 1.00 1.43 C ATOM 1647 C LYS A 101 2.945 8.545 -3.575 1.00 1.37 C ATOM 1648 O LYS A 101 2.940 7.905 -2.521 1.00 1.55 O ATOM 1649 CB LYS A 101 1.086 10.126 -3.918 1.00 2.06 C ATOM 1650 CG LYS A 101 0.762 10.175 -2.432 1.00 2.92 C ATOM 1651 CD LYS A 101 0.963 11.565 -1.846 1.00 3.76 C ATOM 1652 CE LYS A 101 0.552 11.610 -0.384 1.00 4.58 C ATOM 1653 NZ LYS A 101 0.841 12.928 0.238 1.00 5.15 N ATOM 0 H LYS A 101 0.734 7.246 -3.262 1.00 1.07 H new ATOM 0 HA LYS A 101 1.897 8.782 -5.427 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.799 10.916 -4.155 1.00 2.06 H new ATOM 0 HB3 LYS A 101 0.180 10.333 -4.488 1.00 2.06 H new ATOM 0 HG2 LYS A 101 -0.271 9.863 -2.276 1.00 2.92 H new ATOM 0 HG3 LYS A 101 1.394 9.463 -1.900 1.00 2.92 H new ATOM 0 HD2 LYS A 101 2.009 11.855 -1.941 1.00 3.76 H new ATOM 0 HD3 LYS A 101 0.379 12.290 -2.413 1.00 3.76 H new ATOM 0 HE2 LYS A 101 -0.514 11.396 -0.301 1.00 4.58 H new ATOM 0 HE3 LYS A 101 1.078 10.828 0.164 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 -0.029 13.312 0.659 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 1.562 12.812 0.979 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 1.193 13.585 -0.488 1.00 5.15 H new ATOM 1667 N MET A 102 4.041 9.069 -4.104 1.00 1.76 N ATOM 1668 CA MET A 102 5.212 9.344 -3.293 1.00 2.21 C ATOM 1669 C MET A 102 5.593 10.801 -3.501 1.00 2.42 C ATOM 1670 O MET A 102 6.515 11.132 -4.245 1.00 2.62 O ATOM 1671 CB MET A 102 6.379 8.423 -3.667 1.00 2.82 C ATOM 1672 CG MET A 102 6.721 8.399 -5.151 1.00 3.61 C ATOM 1673 SD MET A 102 8.175 7.389 -5.509 1.00 4.57 S ATOM 1674 CE MET A 102 8.251 7.545 -7.293 1.00 5.14 C ATOM 0 H MET A 102 4.141 9.311 -5.090 1.00 1.76 H new ATOM 0 HA MET A 102 4.983 9.156 -2.244 1.00 2.21 H new ATOM 0 HB2 MET A 102 7.262 8.734 -3.110 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.141 7.409 -3.347 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.869 8.014 -5.711 1.00 3.61 H new ATOM 0 HG3 MET A 102 6.896 9.418 -5.497 1.00 3.61 H new ATOM 0 HE1 MET A 102 8.736 6.665 -7.715 1.00 5.14 H new ATOM 0 HE2 MET A 102 7.241 7.630 -7.694 1.00 5.14 H new ATOM 0 HE3 MET A 102 8.822 8.435 -7.556 1.00 5.14 H new ATOM 1684 N ASP A 103 4.869 11.670 -2.827 1.00 2.92 N ATOM 1685 CA ASP A 103 5.068 13.098 -2.972 1.00 3.46 C ATOM 1686 C ASP A 103 5.228 13.756 -1.614 1.00 3.62 C ATOM 1687 O ASP A 103 5.351 13.083 -0.589 1.00 3.77 O ATOM 1688 CB ASP A 103 3.893 13.707 -3.730 1.00 4.39 C ATOM 1689 CG ASP A 103 4.297 14.907 -4.565 1.00 5.03 C ATOM 1690 OD1 ASP A 103 4.398 14.763 -5.799 1.00 5.64 O ATOM 1691 OD2 ASP A 103 4.518 15.994 -3.996 1.00 5.25 O ATOM 0 H ASP A 103 4.133 11.411 -2.170 1.00 2.92 H new ATOM 0 HA ASP A 103 5.982 13.272 -3.539 1.00 3.46 H new ATOM 0 HB2 ASP A 103 3.452 12.950 -4.378 1.00 4.39 H new ATOM 0 HB3 ASP A 103 3.123 14.006 -3.019 1.00 4.39 H new ATOM 1696 N GLU A 104 5.207 15.072 -1.627 1.00 4.02 N ATOM 1697 CA GLU A 104 5.129 15.869 -0.433 1.00 4.43 C ATOM 1698 C GLU A 104 3.856 16.713 -0.490 1.00 4.28 C ATOM 1699 O GLU A 104 3.520 17.445 0.441 1.00 4.73 O ATOM 1700 CB GLU A 104 6.375 16.732 -0.327 1.00 4.95 C ATOM 1701 CG GLU A 104 6.658 17.554 -1.566 1.00 5.34 C ATOM 1702 CD GLU A 104 8.057 18.123 -1.577 1.00 6.03 C ATOM 1703 OE1 GLU A 104 8.917 17.578 -2.304 1.00 6.26 O ATOM 1704 OE2 GLU A 104 8.311 19.108 -0.853 1.00 6.61 O ATOM 0 H GLU A 104 5.245 15.622 -2.485 1.00 4.02 H new ATOM 0 HA GLU A 104 5.083 15.239 0.455 1.00 4.43 H new ATOM 0 HB2 GLU A 104 6.269 17.403 0.526 1.00 4.95 H new ATOM 0 HB3 GLU A 104 7.233 16.091 -0.124 1.00 4.95 H new ATOM 0 HG2 GLU A 104 6.515 16.933 -2.450 1.00 5.34 H new ATOM 0 HG3 GLU A 104 5.937 18.369 -1.629 1.00 5.34 H new ATOM 1711 N ARG A 105 3.157 16.583 -1.615 1.00 3.93 N ATOM 1712 CA ARG A 105 1.874 17.235 -1.846 1.00 3.96 C ATOM 1713 C ARG A 105 0.732 16.219 -1.707 1.00 3.41 C ATOM 1714 O ARG A 105 0.998 15.030 -1.500 1.00 3.35 O ATOM 1715 CB ARG A 105 1.862 17.844 -3.253 1.00 4.49 C ATOM 1716 CG ARG A 105 2.783 19.037 -3.418 1.00 4.98 C ATOM 1717 CD ARG A 105 2.709 19.592 -4.829 1.00 5.81 C ATOM 1718 NE ARG A 105 1.359 20.039 -5.175 1.00 6.29 N ATOM 1719 CZ ARG A 105 0.760 19.793 -6.341 1.00 7.10 C ATOM 1720 NH1 ARG A 105 1.363 19.060 -7.267 1.00 7.50 N ATOM 1721 NH2 ARG A 105 -0.454 20.272 -6.573 1.00 7.74 N ATOM 0 H ARG A 105 3.471 16.014 -2.401 1.00 3.93 H new ATOM 0 HA ARG A 105 1.732 18.023 -1.106 1.00 3.96 H new ATOM 0 HB2 ARG A 105 2.147 17.076 -3.972 1.00 4.49 H new ATOM 0 HB3 ARG A 105 0.844 18.148 -3.497 1.00 4.49 H new ATOM 0 HG2 ARG A 105 2.509 19.813 -2.703 1.00 4.98 H new ATOM 0 HG3 ARG A 105 3.808 18.743 -3.193 1.00 4.98 H new ATOM 0 HD2 ARG A 105 3.403 20.427 -4.926 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.029 18.827 -5.536 1.00 5.81 H new ATOM 0 HE ARG A 105 0.842 20.574 -4.478 1.00 6.29 H new ATOM 0 HH11 ARG A 105 2.293 18.679 -7.090 1.00 7.50 H new ATOM 0 HH12 ARG A 105 0.897 18.877 -8.156 1.00 7.50 H new ATOM 0 HH21 ARG A 105 -0.928 20.827 -5.861 1.00 7.74 H new ATOM 0 HH22 ARG A 105 -0.914 20.085 -7.464 1.00 7.74 H new ATOM 1735 N PRO A 106 -0.547 16.663 -1.783 1.00 3.33 N ATOM 1736 CA PRO A 106 -1.710 15.759 -1.806 1.00 3.10 C ATOM 1737 C PRO A 106 -1.547 14.581 -2.773 1.00 2.43 C ATOM 1738 O PRO A 106 -0.810 14.662 -3.762 1.00 2.29 O ATOM 1739 CB PRO A 106 -2.837 16.676 -2.274 1.00 3.53 C ATOM 1740 CG PRO A 106 -2.474 18.007 -1.728 1.00 4.00 C ATOM 1741 CD PRO A 106 -0.973 18.083 -1.798 1.00 3.83 C ATOM 0 HA PRO A 106 -1.876 15.290 -0.836 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -2.907 16.697 -3.362 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -3.804 16.342 -1.899 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -2.934 18.807 -2.309 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -2.824 18.117 -0.702 1.00 4.00 H new ATOM 0 HD2 PRO A 106 -0.640 18.591 -2.703 1.00 3.83 H new ATOM 0 HD3 PRO A 106 -0.560 18.634 -0.953 1.00 3.83 H new ATOM 1749 N PRO A 107 -2.237 13.463 -2.484 1.00 2.31 N ATOM 1750 CA PRO A 107 -2.163 12.243 -3.294 1.00 1.85 C ATOM 1751 C PRO A 107 -3.007 12.320 -4.563 1.00 1.51 C ATOM 1752 O PRO A 107 -3.679 13.321 -4.814 1.00 1.80 O ATOM 1753 CB PRO A 107 -2.722 11.185 -2.350 1.00 2.23 C ATOM 1754 CG PRO A 107 -3.710 11.917 -1.513 1.00 2.91 C ATOM 1755 CD PRO A 107 -3.151 13.303 -1.333 1.00 2.93 C ATOM 0 HA PRO A 107 -1.151 12.047 -3.649 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -3.194 10.371 -2.901 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -1.935 10.742 -1.739 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -4.685 11.949 -1.998 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -3.849 11.424 -0.551 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -3.939 14.057 -1.339 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -2.622 13.402 -0.385 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.981 11.254 -5.357 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.722 11.227 -6.607 1.00 0.94 C ATOM 1765 C GLN A 108 -4.502 9.930 -6.748 1.00 0.70 C ATOM 1766 O GLN A 108 -4.033 8.864 -6.339 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.775 11.370 -7.796 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.726 10.270 -7.868 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.655 10.536 -8.904 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.893 11.207 -9.907 1.00 2.57 O ATOM 1771 NE2 GLN A 108 0.530 9.996 -8.672 1.00 2.71 N ATOM 0 H GLN A 108 -2.456 10.403 -5.156 1.00 1.09 H new ATOM 0 HA GLN A 108 -4.419 12.065 -6.594 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.357 11.367 -8.717 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.274 12.336 -7.738 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -1.257 10.159 -6.890 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -2.216 9.323 -8.096 1.00 1.72 H new ATOM 0 HE21 GLN A 108 0.683 9.446 -7.826 1.00 2.71 H new ATOM 0 HE22 GLN A 108 1.290 10.129 -9.339 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.716 10.015 -7.302 1.00 0.68 N ATOM 1781 CA PRO A 109 -6.500 8.839 -7.677 1.00 0.55 C ATOM 1782 C PRO A 109 -5.803 8.050 -8.774 1.00 0.56 C ATOM 1783 O PRO A 109 -5.693 8.528 -9.904 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.794 9.436 -8.234 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.858 10.812 -7.680 1.00 0.82 C ATOM 1786 CD PRO A 109 -6.434 11.268 -7.596 1.00 0.91 C ATOM 0 HA PRO A 109 -6.650 8.157 -6.840 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.784 9.450 -9.324 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.661 8.849 -7.931 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.444 11.468 -8.323 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -8.333 10.820 -6.699 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -6.097 11.720 -8.529 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.291 12.011 -6.812 1.00 0.91 H new ATOM 1794 N LEU A 110 -5.318 6.860 -8.461 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.606 6.085 -9.462 1.00 0.61 C ATOM 1796 C LEU A 110 -5.164 4.677 -9.585 1.00 0.51 C ATOM 1797 O LEU A 110 -4.892 3.977 -10.559 1.00 0.62 O ATOM 1798 CB LEU A 110 -3.113 6.043 -9.138 1.00 0.83 C ATOM 1799 CG LEU A 110 -2.200 5.792 -10.340 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -2.304 6.934 -11.340 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.763 5.607 -9.892 1.00 1.61 C ATOM 0 H LEU A 110 -5.401 6.418 -7.545 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.746 6.578 -10.424 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.830 6.989 -8.676 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.938 5.262 -8.398 1.00 0.83 H new ATOM 0 HG LEU A 110 -2.527 4.875 -10.830 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -1.647 6.737 -12.187 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -3.333 7.018 -11.690 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -2.007 7.866 -10.860 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.131 5.430 -10.762 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -0.425 6.505 -9.374 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.699 4.753 -9.217 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.985 4.290 -8.627 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.533 2.948 -8.567 1.00 0.48 C ATOM 1815 C ASN A 111 -7.895 3.090 -7.961 1.00 0.42 C ATOM 1816 O ASN A 111 -8.268 4.191 -7.593 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.651 2.014 -7.711 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.693 1.164 -8.530 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -4.183 1.585 -9.567 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.457 -0.053 -8.072 1.00 1.75 N ATOM 0 H ASN A 111 -6.291 4.898 -7.867 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.576 2.499 -9.560 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -5.078 2.615 -7.005 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -6.294 1.359 -7.123 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -3.833 -0.678 -8.583 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -4.898 -0.367 -7.208 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.651 2.035 -7.855 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.900 2.126 -7.140 1.00 0.60 C ATOM 1829 C LYS A 112 -10.185 0.839 -6.439 1.00 0.72 C ATOM 1830 O LYS A 112 -9.872 -0.244 -6.925 1.00 0.84 O ATOM 1831 CB LYS A 112 -11.064 2.448 -8.051 1.00 0.72 C ATOM 1832 CG LYS A 112 -12.304 2.949 -7.326 1.00 1.33 C ATOM 1833 CD LYS A 112 -13.517 3.056 -8.249 1.00 1.68 C ATOM 1834 CE LYS A 112 -13.331 4.088 -9.358 1.00 2.31 C ATOM 1835 NZ LYS A 112 -12.577 3.547 -10.521 1.00 2.93 N ATOM 0 H LYS A 112 -8.435 1.117 -8.244 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.792 2.939 -6.422 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -10.749 3.202 -8.772 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -11.325 1.555 -8.618 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -12.537 2.275 -6.502 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -12.096 3.926 -6.889 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -13.714 2.082 -8.696 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -14.394 3.319 -7.658 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -14.308 4.436 -9.693 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.804 4.954 -8.959 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -11.656 4.026 -10.591 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -12.427 2.526 -10.393 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -13.120 3.711 -11.393 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.810 0.976 -5.315 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.160 -0.149 -4.504 1.00 0.97 C ATOM 1851 C TRP A 113 -12.397 -0.811 -5.036 1.00 1.02 C ATOM 1852 O TRP A 113 -13.493 -0.274 -4.939 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.378 0.245 -3.058 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.081 1.565 -2.887 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.513 2.807 -2.931 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.479 1.775 -2.646 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.472 3.771 -2.762 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.684 3.164 -2.577 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.577 0.925 -2.487 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.940 3.720 -2.361 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.823 1.478 -2.271 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.996 2.864 -2.210 1.00 2.20 C ATOM 0 H TRP A 113 -11.095 1.876 -4.929 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.325 -0.848 -4.542 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.960 -0.533 -2.563 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.413 0.290 -2.554 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.461 3.001 -3.078 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.309 4.778 -2.772 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.453 -0.147 -2.532 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.077 4.790 -2.314 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.678 0.830 -2.147 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.984 3.267 -2.040 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.169 -1.965 -5.611 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.201 -2.897 -6.047 1.00 1.50 C ATOM 1875 C ARG A 114 -14.278 -2.335 -6.970 1.00 1.82 C ATOM 1876 O ARG A 114 -14.774 -1.220 -6.826 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.802 -3.665 -4.864 1.00 1.80 C ATOM 1878 CG ARG A 114 -14.251 -2.852 -3.651 1.00 2.76 C ATOM 1879 CD ARG A 114 -15.758 -2.627 -3.623 1.00 3.56 C ATOM 1880 NE ARG A 114 -16.173 -1.482 -4.428 1.00 4.38 N ATOM 1881 CZ ARG A 114 -17.370 -0.901 -4.331 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -18.292 -1.407 -3.521 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -17.649 0.174 -5.053 1.00 6.29 N ATOM 0 H ARG A 114 -11.225 -2.302 -5.800 1.00 1.34 H new ATOM 0 HA ARG A 114 -12.664 -3.595 -6.689 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -14.662 -4.227 -5.229 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -13.065 -4.394 -4.527 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.947 -3.367 -2.740 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -13.743 -1.888 -3.656 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -16.262 -3.523 -3.987 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -16.079 -2.477 -2.592 1.00 3.56 H new ATOM 0 HE ARG A 114 -15.509 -1.104 -5.104 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -18.086 -2.241 -2.972 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -19.207 -0.962 -3.448 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -16.948 0.560 -5.685 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -18.565 0.616 -4.977 1.00 6.29 H new ATOM 1897 N SER A 115 -14.630 -3.190 -7.909 1.00 2.02 N ATOM 1898 CA SER A 115 -15.618 -2.913 -8.949 1.00 2.76 C ATOM 1899 C SER A 115 -15.392 -1.546 -9.605 1.00 3.19 C ATOM 1900 O SER A 115 -16.108 -0.579 -9.262 1.00 3.60 O ATOM 1901 CB SER A 115 -17.041 -3.054 -8.391 1.00 3.33 C ATOM 1902 OG SER A 115 -17.244 -2.242 -7.247 1.00 4.01 O ATOM 1903 OXT SER A 115 -14.479 -1.448 -10.458 1.00 3.62 O ATOM 0 H SER A 115 -14.229 -4.125 -7.977 1.00 2.02 H new ATOM 0 HA SER A 115 -15.492 -3.656 -9.737 1.00 2.76 H new ATOM 0 HB2 SER A 115 -17.762 -2.781 -9.162 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.228 -4.097 -8.134 1.00 3.33 H new ATOM 0 HG SER A 115 -16.817 -1.371 -7.384 1.00 4.01 H new TER 1909 SER A 115