USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 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 109 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 159:sc= -0.573 (180deg=-1.61) USER MOD Set 2.1: A 59 MET CE :methyl 180:sc= -0.0281 (180deg=-0.0281) USER MOD Set 2.2: A 88 MET CE :methyl -177:sc= 0 (180deg=0) USER MOD Set 3.1: A 43 SER OG : rot -13:sc= 0.53 USER MOD Set 3.2: A 111 TYR OH : rot 40:sc= -2.87 USER MOD Set 4.1: A 38 HIS : no HE2:sc= -2.79 K(o=-3.1,f=-4.4) USER MOD Set 4.2: A 87 HIS : no HD1:sc= -0.339 X(o=-3.1,f=-3) USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0.00196 USER MOD Set 5.2: A 3 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-0.87) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0283 F(o=-0.7,f=-0.028) USER MOD Single : A 23 SER OG : rot 180:sc= -0.8! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -73:sc= 1.67 USER MOD Single : A 32 THR OG1 : rot 80:sc= -0.845 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.595) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -57:sc= 0.401 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 0.00431 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.8) USER MOD Single : A 51 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -112:sc= 0.35 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -147:sc= -1.55 (180deg=-3.46) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.36) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -170:sc= -2.32 USER MOD Single : A 92 ASN : amide:sc= -0.54 K(o=-0.54,f=-4!) USER MOD Single : A 93 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.21) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.056) USER MOD Single : A 101 LYS NZ :NH3+ 143:sc= -0.171 (180deg=-0.255) USER MOD Single : A 102 MET CE :methyl 162:sc= -0.24 (180deg=-0.862) USER MOD Single : A 103 THR OG1 : rot 140:sc= 1.85 USER MOD Single : A 105 GLN :FLIP amide:sc= -1.61 F(o=-3.7,f=-1.6) USER MOD Single : A 106 GLN : amide:sc= 0.685 K(o=0.69,f=-0.43) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc=-0.000593 K(o=-0.00059,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.683 12.601 7.042 1.00 0.00 N ATOM 2 CA PRO A 1 -12.742 11.506 7.401 1.00 0.00 C ATOM 3 C PRO A 1 -11.504 11.503 6.505 1.00 0.00 C ATOM 4 O PRO A 1 -11.437 10.763 5.524 1.00 0.00 O ATOM 5 CB PRO A 1 -13.498 10.186 7.269 1.00 0.00 C ATOM 6 CG PRO A 1 -14.806 10.570 6.664 1.00 0.00 C ATOM 7 CD PRO A 1 -15.035 12.018 7.026 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.449 12.994 6.130 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.626 13.362 7.719 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.388 11.652 8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.959 9.480 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.633 9.706 8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.787 10.439 5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.610 9.942 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.675 12.515 6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.522 12.114 7.996 1.00 0.00 H new ATOM 17 N SER A 2 -10.529 12.337 6.852 1.00 0.00 N ATOM 18 CA SER A 2 -9.295 12.431 6.081 1.00 0.00 C ATOM 19 C SER A 2 -8.388 11.235 6.356 1.00 0.00 C ATOM 20 O SER A 2 -7.640 10.797 5.483 1.00 0.00 O ATOM 21 CB SER A 2 -8.558 13.730 6.413 1.00 0.00 C ATOM 22 OG SER A 2 -8.378 13.871 7.811 1.00 0.00 O ATOM 0 H SER A 2 -10.570 12.957 7.661 1.00 0.00 H new ATOM 0 HA SER A 2 -9.557 12.430 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.588 13.739 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.121 14.580 6.028 1.00 0.00 H new ATOM 0 HG SER A 2 -7.903 14.708 7.997 1.00 0.00 H new ATOM 28 N HIS A 3 -8.460 10.713 7.577 1.00 0.00 N ATOM 29 CA HIS A 3 -7.646 9.568 7.967 1.00 0.00 C ATOM 30 C HIS A 3 -8.445 8.273 7.866 1.00 0.00 C ATOM 31 O HIS A 3 -8.313 7.383 8.706 1.00 0.00 O ATOM 32 CB HIS A 3 -7.125 9.749 9.394 1.00 0.00 C ATOM 33 CG HIS A 3 -5.846 10.524 9.471 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.737 11.840 9.073 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.614 10.161 9.903 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.495 12.253 9.257 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.795 11.253 9.759 1.00 0.00 N ATOM 0 H HIS A 3 -9.073 11.065 8.312 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.799 9.506 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.885 10.258 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.973 8.768 9.844 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.330 9.193 10.289 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.117 13.240 9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.805 11.286 10.001 1.00 0.00 H new ATOM 46 N SER A 4 -9.275 8.176 6.832 1.00 0.00 N ATOM 47 CA SER A 4 -10.096 6.988 6.620 1.00 0.00 C ATOM 48 C SER A 4 -10.977 7.144 5.383 1.00 0.00 C ATOM 49 O SER A 4 -11.637 8.167 5.202 1.00 0.00 O ATOM 50 CB SER A 4 -10.972 6.722 7.846 1.00 0.00 C ATOM 51 OG SER A 4 -11.725 7.869 8.196 1.00 0.00 O ATOM 0 H SER A 4 -9.397 8.904 6.129 1.00 0.00 H new ATOM 0 HA SER A 4 -9.427 6.142 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.646 5.890 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.345 6.425 8.687 1.00 0.00 H new ATOM 0 HG SER A 4 -12.277 7.671 8.981 1.00 0.00 H new ATOM 57 N GLY A 5 -10.988 6.117 4.538 1.00 0.00 N ATOM 58 CA GLY A 5 -11.796 6.150 3.336 1.00 0.00 C ATOM 59 C GLY A 5 -12.278 4.769 2.953 1.00 0.00 C ATOM 60 O GLY A 5 -11.652 3.772 3.306 1.00 0.00 O ATOM 0 H GLY A 5 -10.449 5.261 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.653 6.806 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.214 6.573 2.517 1.00 0.00 H new ATOM 64 N ALA A 6 -13.389 4.699 2.231 1.00 0.00 N ATOM 65 CA ALA A 6 -13.935 3.415 1.818 1.00 0.00 C ATOM 66 C ALA A 6 -13.062 2.780 0.743 1.00 0.00 C ATOM 67 O ALA A 6 -13.038 3.232 -0.402 1.00 0.00 O ATOM 68 CB ALA A 6 -15.363 3.580 1.327 1.00 0.00 C ATOM 0 H ALA A 6 -13.925 5.510 1.922 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.944 2.750 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.757 2.611 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.979 3.986 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.379 4.262 0.477 1.00 0.00 H new ATOM 74 N ALA A 7 -12.336 1.734 1.128 1.00 0.00 N ATOM 75 CA ALA A 7 -11.447 1.038 0.204 1.00 0.00 C ATOM 76 C ALA A 7 -11.935 -0.383 -0.069 1.00 0.00 C ATOM 77 O ALA A 7 -12.603 -0.991 0.768 1.00 0.00 O ATOM 78 CB ALA A 7 -10.027 1.016 0.757 1.00 0.00 C ATOM 0 H ALA A 7 -12.346 1.350 2.073 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.450 1.580 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.373 0.494 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.673 2.038 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.018 0.500 1.717 1.00 0.00 H new ATOM 84 N ILE A 8 -11.596 -0.906 -1.244 1.00 0.00 N ATOM 85 CA ILE A 8 -11.998 -2.255 -1.628 1.00 0.00 C ATOM 86 C ILE A 8 -10.859 -3.249 -1.412 1.00 0.00 C ATOM 87 O ILE A 8 -9.688 -2.916 -1.596 1.00 0.00 O ATOM 88 CB ILE A 8 -12.464 -2.302 -3.102 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.897 -1.787 -3.211 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.366 -3.710 -3.677 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.009 -0.510 -3.995 1.00 0.00 C ATOM 0 H ILE A 8 -11.043 -0.415 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.835 -2.538 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.803 -1.660 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.516 -2.551 -3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.296 -1.627 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.702 -3.704 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.331 -4.050 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.995 -4.385 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.053 -0.198 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.416 0.267 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.640 -0.671 -5.008 1.00 0.00 H new ATOM 103 N PHE A 9 -11.212 -4.472 -1.024 1.00 0.00 N ATOM 104 CA PHE A 9 -10.221 -5.515 -0.788 1.00 0.00 C ATOM 105 C PHE A 9 -10.798 -6.884 -1.122 1.00 0.00 C ATOM 106 O PHE A 9 -11.861 -7.254 -0.633 1.00 0.00 O ATOM 107 CB PHE A 9 -9.754 -5.486 0.669 1.00 0.00 C ATOM 108 CG PHE A 9 -8.476 -6.239 0.904 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.391 -6.070 0.059 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.359 -7.115 1.971 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.214 -6.762 0.273 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.184 -7.810 2.190 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.111 -7.632 1.340 1.00 0.00 C ATOM 0 H PHE A 9 -12.177 -4.764 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.365 -5.328 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.618 -4.450 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.536 -5.907 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.466 -5.390 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.195 -7.257 2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.376 -6.622 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.106 -8.491 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.192 -8.173 1.510 1.00 0.00 H new ATOM 123 N GLU A 10 -10.094 -7.632 -1.965 1.00 0.00 N ATOM 124 CA GLU A 10 -10.548 -8.959 -2.366 1.00 0.00 C ATOM 125 C GLU A 10 -11.838 -8.867 -3.176 1.00 0.00 C ATOM 126 O GLU A 10 -12.674 -9.769 -3.133 1.00 0.00 O ATOM 127 CB GLU A 10 -10.760 -9.848 -1.139 1.00 0.00 C ATOM 128 CG GLU A 10 -9.548 -9.923 -0.225 1.00 0.00 C ATOM 129 CD GLU A 10 -8.405 -10.709 -0.838 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.663 -11.794 -1.398 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.251 -10.238 -0.755 1.00 0.00 O ATOM 0 H GLU A 10 -9.209 -7.343 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.776 -9.405 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.610 -9.472 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.018 -10.854 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.208 -8.913 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.837 -10.385 0.719 1.00 0.00 H new ATOM 138 N LYS A 11 -11.985 -7.768 -3.917 1.00 0.00 N ATOM 139 CA LYS A 11 -13.165 -7.536 -4.754 1.00 0.00 C ATOM 140 C LYS A 11 -14.352 -7.012 -3.942 1.00 0.00 C ATOM 141 O LYS A 11 -15.398 -6.693 -4.507 1.00 0.00 O ATOM 142 CB LYS A 11 -13.569 -8.814 -5.497 1.00 0.00 C ATOM 143 CG LYS A 11 -12.395 -9.569 -6.100 1.00 0.00 C ATOM 144 CD LYS A 11 -12.275 -9.316 -7.594 1.00 0.00 C ATOM 145 CE LYS A 11 -10.822 -9.268 -8.036 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.184 -7.963 -7.711 1.00 0.00 N ATOM 0 H LYS A 11 -11.295 -7.018 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.890 -6.771 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.097 -9.473 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.270 -8.556 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.473 -9.266 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.517 -10.637 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.797 -10.102 -8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.764 -8.375 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.269 -10.073 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.764 -9.443 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.194 -7.972 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.696 -7.197 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.216 -7.807 -6.683 1.00 0.00 H new ATOM 160 N VAL A 12 -14.193 -6.918 -2.623 1.00 0.00 N ATOM 161 CA VAL A 12 -15.262 -6.425 -1.767 1.00 0.00 C ATOM 162 C VAL A 12 -14.957 -5.017 -1.273 1.00 0.00 C ATOM 163 O VAL A 12 -13.802 -4.677 -1.015 1.00 0.00 O ATOM 164 CB VAL A 12 -15.499 -7.360 -0.564 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.320 -7.341 0.401 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.789 -6.994 0.157 1.00 0.00 C ATOM 0 H VAL A 12 -13.338 -7.176 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.171 -6.401 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.594 -8.375 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.523 -8.011 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.420 -7.670 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.173 -6.328 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.937 -7.666 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.726 -5.967 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.629 -7.086 -0.531 1.00 0.00 H new ATOM 176 N SER A 13 -15.992 -4.199 -1.146 1.00 0.00 N ATOM 177 CA SER A 13 -15.814 -2.833 -0.683 1.00 0.00 C ATOM 178 C SER A 13 -15.999 -2.740 0.823 1.00 0.00 C ATOM 179 O SER A 13 -16.971 -3.253 1.376 1.00 0.00 O ATOM 180 CB SER A 13 -16.790 -1.893 -1.387 1.00 0.00 C ATOM 181 OG SER A 13 -18.125 -2.349 -1.257 1.00 0.00 O ATOM 0 H SER A 13 -16.957 -4.456 -1.356 1.00 0.00 H new ATOM 0 HA SER A 13 -14.796 -2.530 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.702 -0.892 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.530 -1.818 -2.443 1.00 0.00 H new ATOM 0 HG SER A 13 -18.729 -1.728 -1.715 1.00 0.00 H new ATOM 187 N GLY A 14 -15.057 -2.080 1.482 1.00 0.00 N ATOM 188 CA GLY A 14 -15.126 -1.925 2.919 1.00 0.00 C ATOM 189 C GLY A 14 -14.801 -0.516 3.362 1.00 0.00 C ATOM 190 O GLY A 14 -15.212 0.454 2.723 1.00 0.00 O ATOM 0 H GLY A 14 -14.243 -1.648 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.126 -2.190 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.432 -2.621 3.391 1.00 0.00 H new ATOM 194 N ILE A 15 -14.057 -0.402 4.453 1.00 0.00 N ATOM 195 CA ILE A 15 -13.671 0.899 4.978 1.00 0.00 C ATOM 196 C ILE A 15 -12.219 0.896 5.414 1.00 0.00 C ATOM 197 O ILE A 15 -11.828 0.132 6.291 1.00 0.00 O ATOM 198 CB ILE A 15 -14.537 1.309 6.184 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.003 0.936 5.941 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.383 2.798 6.466 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.715 1.832 4.952 1.00 0.00 C ATOM 0 H ILE A 15 -13.709 -1.195 4.992 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.819 1.616 4.170 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.195 0.765 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.050 -0.092 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.536 0.966 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.001 3.072 7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.339 3.020 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.699 3.368 5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.747 1.500 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.703 2.859 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.209 1.784 3.988 1.00 0.00 H new ATOM 213 N ILE A 16 -11.428 1.765 4.813 1.00 0.00 N ATOM 214 CA ILE A 16 -10.024 1.867 5.158 1.00 0.00 C ATOM 215 C ILE A 16 -9.824 3.009 6.143 1.00 0.00 C ATOM 216 O ILE A 16 -10.189 4.149 5.871 1.00 0.00 O ATOM 217 CB ILE A 16 -9.153 2.057 3.889 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.484 0.732 3.523 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.102 3.143 4.063 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.512 0.836 2.365 1.00 0.00 C ATOM 0 H ILE A 16 -11.734 2.410 4.084 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.705 0.938 5.631 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.813 2.377 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.955 0.350 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.255 0.003 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.520 3.236 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.592 4.092 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.440 2.880 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.078 -0.144 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.039 1.187 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.719 1.539 2.618 1.00 0.00 H new ATOM 232 N ALA A 17 -9.268 2.687 7.298 1.00 0.00 N ATOM 233 CA ALA A 17 -9.051 3.689 8.331 1.00 0.00 C ATOM 234 C ALA A 17 -7.697 3.506 9.007 1.00 0.00 C ATOM 235 O ALA A 17 -7.320 2.396 9.381 1.00 0.00 O ATOM 236 CB ALA A 17 -10.182 3.629 9.346 1.00 0.00 C ATOM 0 H ALA A 17 -8.960 1.747 7.545 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.046 4.674 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.018 4.380 10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.131 3.825 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.210 2.639 9.802 1.00 0.00 H new ATOM 242 N ILE A 18 -6.965 4.607 9.150 1.00 0.00 N ATOM 243 CA ILE A 18 -5.646 4.579 9.770 1.00 0.00 C ATOM 244 C ILE A 18 -5.740 4.663 11.291 1.00 0.00 C ATOM 245 O ILE A 18 -6.342 5.587 11.837 1.00 0.00 O ATOM 246 CB ILE A 18 -4.763 5.733 9.254 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.740 5.741 7.724 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.351 5.616 9.807 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.869 6.537 7.105 1.00 0.00 C ATOM 0 H ILE A 18 -7.265 5.532 8.843 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.190 3.627 9.496 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.189 6.675 9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.789 6.152 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.790 4.714 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.744 6.439 9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.382 5.656 10.896 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.914 4.669 9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.789 6.498 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.825 6.113 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.808 7.574 7.436 1.00 0.00 H new ATOM 261 N ASN A 19 -5.132 3.692 11.967 1.00 0.00 N ATOM 262 CA ASN A 19 -5.134 3.652 13.424 1.00 0.00 C ATOM 263 C ASN A 19 -3.945 4.421 13.987 1.00 0.00 C ATOM 264 O ASN A 19 -2.856 3.870 14.149 1.00 0.00 O ATOM 265 CB ASN A 19 -5.098 2.203 13.915 1.00 0.00 C ATOM 266 CG ASN A 19 -5.908 2.002 15.180 1.00 0.00 C ATOM 267 OD1 ASN A 19 -5.360 2.438 16.310 1.00 0.00 O flip ATOM 268 ND2 ASN A 19 -7.013 1.462 15.145 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.631 2.921 11.526 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.051 4.124 13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.482 1.548 13.133 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.064 1.910 14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.396 1.142 14.256 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.546 1.334 16.005 1.00 0.00 H new ATOM 275 N GLU A 20 -4.162 5.698 14.286 1.00 0.00 N ATOM 276 CA GLU A 20 -3.108 6.544 14.835 1.00 0.00 C ATOM 277 C GLU A 20 -3.185 6.590 16.357 1.00 0.00 C ATOM 278 O GLU A 20 -2.720 7.545 16.981 1.00 0.00 O ATOM 279 CB GLU A 20 -3.209 7.958 14.262 1.00 0.00 C ATOM 280 CG GLU A 20 -2.519 8.121 12.917 1.00 0.00 C ATOM 281 CD GLU A 20 -1.774 9.436 12.799 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.948 9.732 13.688 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.016 10.169 11.818 1.00 0.00 O ATOM 0 H GLU A 20 -5.057 6.169 14.157 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.147 6.115 14.552 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.261 8.224 14.156 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.773 8.661 14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.820 7.297 12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.262 8.056 12.122 1.00 0.00 H new ATOM 290 N ASP A 21 -3.767 5.553 16.949 1.00 0.00 N ATOM 291 CA ASP A 21 -3.898 5.473 18.397 1.00 0.00 C ATOM 292 C ASP A 21 -2.860 4.519 18.986 1.00 0.00 C ATOM 293 O ASP A 21 -2.706 4.435 20.205 1.00 0.00 O ATOM 294 CB ASP A 21 -5.305 5.011 18.778 1.00 0.00 C ATOM 295 CG ASP A 21 -6.282 6.166 18.887 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.598 6.776 17.845 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.731 6.459 20.015 1.00 0.00 O ATOM 0 H ASP A 21 -4.156 4.755 16.446 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.726 6.468 18.808 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.666 4.302 18.033 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.265 4.481 19.730 1.00 0.00 H new ATOM 302 N VAL A 22 -2.149 3.804 18.117 1.00 0.00 N ATOM 303 CA VAL A 22 -1.128 2.862 18.562 1.00 0.00 C ATOM 304 C VAL A 22 0.270 3.438 18.357 1.00 0.00 C ATOM 305 O VAL A 22 0.417 4.583 17.928 1.00 0.00 O ATOM 306 CB VAL A 22 -1.235 1.521 17.811 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.618 0.914 17.995 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.919 1.705 16.333 1.00 0.00 C ATOM 0 H VAL A 22 -2.261 3.859 17.105 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.296 2.687 19.625 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.501 0.833 18.232 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.674 -0.033 17.457 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.801 0.740 19.055 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.371 1.599 17.604 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.000 0.746 15.821 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.625 2.411 15.895 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.095 2.090 16.223 1.00 0.00 H new ATOM 318 N SER A 23 1.294 2.641 18.647 1.00 0.00 N ATOM 319 CA SER A 23 2.667 3.093 18.470 1.00 0.00 C ATOM 320 C SER A 23 2.940 3.320 16.985 1.00 0.00 C ATOM 321 O SER A 23 3.125 4.459 16.555 1.00 0.00 O ATOM 322 CB SER A 23 3.660 2.092 19.066 1.00 0.00 C ATOM 323 OG SER A 23 3.002 0.915 19.504 1.00 0.00 O ATOM 0 H SER A 23 1.200 1.689 19.002 1.00 0.00 H new ATOM 0 HA SER A 23 2.800 4.034 19.003 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.413 1.835 18.321 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.185 2.551 19.904 1.00 0.00 H new ATOM 0 HG SER A 23 3.660 0.293 19.878 1.00 0.00 H new ATOM 329 N PRO A 24 2.936 2.249 16.167 1.00 0.00 N ATOM 330 CA PRO A 24 3.149 2.364 14.735 1.00 0.00 C ATOM 331 C PRO A 24 1.827 2.539 14.004 1.00 0.00 C ATOM 332 O PRO A 24 1.022 1.610 13.935 1.00 0.00 O ATOM 333 CB PRO A 24 3.763 1.022 14.391 1.00 0.00 C ATOM 334 CG PRO A 24 3.067 0.063 15.299 1.00 0.00 C ATOM 335 CD PRO A 24 2.696 0.841 16.548 1.00 0.00 C ATOM 0 HA PRO A 24 3.764 3.219 14.455 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.604 0.767 13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.840 1.021 14.559 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.178 -0.348 14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.715 -0.778 15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.656 0.674 16.830 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.309 0.547 17.400 1.00 0.00 H new ATOM 343 N ALA A 25 1.597 3.729 13.473 1.00 0.00 N ATOM 344 CA ALA A 25 0.356 4.015 12.762 1.00 0.00 C ATOM 345 C ALA A 25 0.039 2.921 11.748 1.00 0.00 C ATOM 346 O ALA A 25 0.807 2.678 10.818 1.00 0.00 O ATOM 347 CB ALA A 25 0.430 5.375 12.088 1.00 0.00 C ATOM 0 H ALA A 25 2.249 4.512 13.519 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.455 4.037 13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.504 5.572 11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.592 6.146 12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.256 5.384 11.376 1.00 0.00 H new ATOM 353 N GLU A 26 -1.093 2.255 11.946 1.00 0.00 N ATOM 354 CA GLU A 26 -1.515 1.175 11.062 1.00 0.00 C ATOM 355 C GLU A 26 -2.739 1.580 10.246 1.00 0.00 C ATOM 356 O GLU A 26 -3.343 2.625 10.484 1.00 0.00 O ATOM 357 CB GLU A 26 -1.833 -0.079 11.879 1.00 0.00 C ATOM 358 CG GLU A 26 -0.808 -0.380 12.961 1.00 0.00 C ATOM 359 CD GLU A 26 -1.051 -1.713 13.639 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.510 -2.652 12.956 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.782 -1.818 14.855 1.00 0.00 O ATOM 0 H GLU A 26 -1.737 2.445 12.714 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.696 0.963 10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.813 0.038 12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.899 -0.934 11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.190 -0.376 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.831 0.413 13.708 1.00 0.00 H new ATOM 368 N LEU A 27 -3.103 0.731 9.294 1.00 0.00 N ATOM 369 CA LEU A 27 -4.259 0.965 8.442 1.00 0.00 C ATOM 370 C LEU A 27 -5.215 -0.219 8.559 1.00 0.00 C ATOM 371 O LEU A 27 -4.901 -1.323 8.113 1.00 0.00 O ATOM 372 CB LEU A 27 -3.816 1.153 6.988 1.00 0.00 C ATOM 373 CG LEU A 27 -4.948 1.376 5.981 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.694 2.631 5.160 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.103 0.165 5.069 1.00 0.00 C ATOM 0 H LEU A 27 -2.606 -0.137 9.092 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.769 1.873 8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.137 2.004 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.248 0.274 6.682 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.877 1.509 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.509 2.773 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.636 3.494 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.754 2.527 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.912 0.344 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.174 -0.001 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.334 -0.715 5.669 1.00 0.00 H new ATOM 387 N THR A 28 -6.363 0.002 9.189 1.00 0.00 N ATOM 388 CA THR A 28 -7.334 -1.069 9.391 1.00 0.00 C ATOM 389 C THR A 28 -8.515 -0.976 8.431 1.00 0.00 C ATOM 390 O THR A 28 -9.313 -0.039 8.496 1.00 0.00 O ATOM 391 CB THR A 28 -7.844 -1.045 10.833 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.803 -0.693 11.727 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.413 -2.370 11.289 1.00 0.00 C ATOM 0 H THR A 28 -6.644 0.907 9.567 1.00 0.00 H new ATOM 0 HA THR A 28 -6.821 -2.009 9.188 1.00 0.00 H new ATOM 0 HB THR A 28 -8.642 -0.303 10.845 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.149 -0.681 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.756 -2.283 12.320 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.252 -2.645 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.642 -3.138 11.227 1.00 0.00 H new ATOM 401 N TRP A 29 -8.633 -1.971 7.556 1.00 0.00 N ATOM 402 CA TRP A 29 -9.722 -2.029 6.602 1.00 0.00 C ATOM 403 C TRP A 29 -10.911 -2.776 7.197 1.00 0.00 C ATOM 404 O TRP A 29 -10.858 -3.990 7.390 1.00 0.00 O ATOM 405 CB TRP A 29 -9.268 -2.731 5.322 1.00 0.00 C ATOM 406 CG TRP A 29 -10.382 -2.947 4.349 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.987 -1.995 3.592 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.035 -4.183 4.043 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.973 -2.559 2.815 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.021 -3.905 3.077 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.878 -5.497 4.488 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.846 -4.897 2.549 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.697 -6.479 3.966 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.670 -6.175 3.006 1.00 0.00 C ATOM 0 H TRP A 29 -7.979 -2.751 7.493 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.024 -1.009 6.365 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.487 -2.138 4.846 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.826 -3.693 5.579 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.731 -0.946 3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.569 -2.060 2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.129 -5.741 5.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.596 -4.666 1.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.585 -7.499 4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.295 -6.966 2.618 1.00 0.00 H new ATOM 425 N ARG A 30 -11.983 -2.049 7.473 1.00 0.00 N ATOM 426 CA ARG A 30 -13.187 -2.649 8.032 1.00 0.00 C ATOM 427 C ARG A 30 -14.302 -2.660 6.993 1.00 0.00 C ATOM 428 O ARG A 30 -14.774 -1.605 6.571 1.00 0.00 O ATOM 429 CB ARG A 30 -13.637 -1.883 9.278 1.00 0.00 C ATOM 430 CG ARG A 30 -12.542 -1.717 10.319 1.00 0.00 C ATOM 431 CD ARG A 30 -12.077 -0.272 10.416 1.00 0.00 C ATOM 432 NE ARG A 30 -11.755 0.107 11.791 1.00 0.00 N ATOM 433 CZ ARG A 30 -11.672 1.366 12.212 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.888 2.371 11.371 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.373 1.624 13.478 1.00 0.00 N ATOM 0 H ARG A 30 -12.045 -1.043 7.319 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.961 -3.676 8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.995 -0.898 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.480 -2.405 9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.909 -2.048 11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.696 -2.356 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.199 -0.130 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.856 0.386 10.031 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.584 -0.638 12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.119 2.180 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.823 3.334 11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.207 0.857 14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.309 2.590 13.800 1.00 0.00 H new ATOM 449 N SER A 31 -14.714 -3.854 6.577 1.00 0.00 N ATOM 450 CA SER A 31 -15.768 -3.991 5.574 1.00 0.00 C ATOM 451 C SER A 31 -16.959 -3.094 5.899 1.00 0.00 C ATOM 452 O SER A 31 -17.087 -2.595 7.017 1.00 0.00 O ATOM 453 CB SER A 31 -16.228 -5.449 5.474 1.00 0.00 C ATOM 454 OG SER A 31 -16.273 -6.061 6.752 1.00 0.00 O ATOM 0 H SER A 31 -14.336 -4.738 6.917 1.00 0.00 H new ATOM 0 HA SER A 31 -15.354 -3.680 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.215 -5.491 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.549 -6.004 4.826 1.00 0.00 H new ATOM 0 HG SER A 31 -15.360 -6.231 7.065 1.00 0.00 H new ATOM 460 N THR A 32 -17.826 -2.895 4.914 1.00 0.00 N ATOM 461 CA THR A 32 -19.005 -2.064 5.092 1.00 0.00 C ATOM 462 C THR A 32 -20.030 -2.797 5.934 1.00 0.00 C ATOM 463 O THR A 32 -20.678 -2.218 6.804 1.00 0.00 O ATOM 464 CB THR A 32 -19.608 -1.704 3.735 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.838 -2.249 2.678 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.714 -0.214 3.504 1.00 0.00 C ATOM 0 H THR A 32 -17.732 -3.300 3.982 1.00 0.00 H new ATOM 0 HA THR A 32 -18.714 -1.146 5.602 1.00 0.00 H new ATOM 0 HB THR A 32 -20.613 -2.127 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.062 -3.196 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.150 -0.028 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.348 0.229 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.721 0.233 3.550 1.00 0.00 H new ATOM 474 N ASP A 33 -20.161 -4.082 5.654 1.00 0.00 N ATOM 475 CA ASP A 33 -21.101 -4.928 6.368 1.00 0.00 C ATOM 476 C ASP A 33 -20.518 -5.406 7.691 1.00 0.00 C ATOM 477 O ASP A 33 -21.227 -5.525 8.690 1.00 0.00 O ATOM 478 CB ASP A 33 -21.502 -6.126 5.506 1.00 0.00 C ATOM 479 CG ASP A 33 -22.941 -6.547 5.735 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.227 -7.128 6.804 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.781 -6.297 4.846 1.00 0.00 O ATOM 0 H ASP A 33 -19.625 -4.564 4.933 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.989 -4.333 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.362 -5.876 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.842 -6.965 5.725 1.00 0.00 H new ATOM 486 N GLY A 34 -19.222 -5.679 7.686 1.00 0.00 N ATOM 487 CA GLY A 34 -18.557 -6.144 8.890 1.00 0.00 C ATOM 488 C GLY A 34 -18.212 -7.619 8.825 1.00 0.00 C ATOM 489 O GLY A 34 -18.104 -8.285 9.854 1.00 0.00 O ATOM 0 H GLY A 34 -18.617 -5.587 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.646 -5.567 9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.200 -5.961 9.751 1.00 0.00 H new ATOM 493 N ASP A 35 -18.039 -8.129 7.610 1.00 0.00 N ATOM 494 CA ASP A 35 -17.706 -9.535 7.413 1.00 0.00 C ATOM 495 C ASP A 35 -16.243 -9.709 7.017 1.00 0.00 C ATOM 496 O ASP A 35 -15.686 -10.801 7.135 1.00 0.00 O ATOM 497 CB ASP A 35 -18.610 -10.150 6.344 1.00 0.00 C ATOM 498 CG ASP A 35 -20.006 -10.436 6.862 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.169 -10.555 8.094 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.937 -10.543 6.034 1.00 0.00 O ATOM 0 H ASP A 35 -18.124 -7.590 6.748 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.866 -10.050 8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.673 -9.473 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.163 -11.076 5.983 1.00 0.00 H new ATOM 505 N LYS A 36 -15.621 -8.631 6.548 1.00 0.00 N ATOM 506 CA LYS A 36 -14.222 -8.680 6.136 1.00 0.00 C ATOM 507 C LYS A 36 -13.402 -7.615 6.855 1.00 0.00 C ATOM 508 O LYS A 36 -13.862 -6.492 7.054 1.00 0.00 O ATOM 509 CB LYS A 36 -14.107 -8.497 4.623 1.00 0.00 C ATOM 510 CG LYS A 36 -15.097 -9.336 3.832 1.00 0.00 C ATOM 511 CD LYS A 36 -16.405 -8.593 3.609 1.00 0.00 C ATOM 512 CE LYS A 36 -17.531 -9.544 3.240 1.00 0.00 C ATOM 513 NZ LYS A 36 -17.270 -10.241 1.951 1.00 0.00 N ATOM 0 H LYS A 36 -16.061 -7.717 6.444 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.825 -9.658 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.259 -7.445 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.095 -8.753 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.661 -9.604 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.293 -10.267 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.672 -8.045 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.275 -7.856 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.657 -10.282 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.466 -8.989 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.132 -10.229 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.503 -9.756 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.993 -11.226 2.139 1.00 0.00 H new ATOM 527 N VAL A 37 -12.187 -7.981 7.248 1.00 0.00 N ATOM 528 CA VAL A 37 -11.307 -7.058 7.950 1.00 0.00 C ATOM 529 C VAL A 37 -9.847 -7.259 7.539 1.00 0.00 C ATOM 530 O VAL A 37 -9.448 -8.356 7.143 1.00 0.00 O ATOM 531 CB VAL A 37 -11.458 -7.210 9.485 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.277 -7.950 10.102 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.641 -5.849 10.135 1.00 0.00 C ATOM 0 H VAL A 37 -11.791 -8.908 7.092 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.602 -6.047 7.670 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.348 -7.812 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.423 -8.035 11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.204 -8.946 9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.358 -7.399 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.746 -5.972 11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.773 -5.225 9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.536 -5.372 9.735 1.00 0.00 H new ATOM 543 N HIS A 38 -9.059 -6.195 7.639 1.00 0.00 N ATOM 544 CA HIS A 38 -7.644 -6.246 7.283 1.00 0.00 C ATOM 545 C HIS A 38 -6.867 -5.155 8.013 1.00 0.00 C ATOM 546 O HIS A 38 -7.394 -4.074 8.268 1.00 0.00 O ATOM 547 CB HIS A 38 -7.468 -6.095 5.772 1.00 0.00 C ATOM 548 CG HIS A 38 -6.238 -6.767 5.243 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.742 -7.944 5.762 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.405 -6.422 4.233 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.656 -8.293 5.095 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.431 -7.387 4.162 1.00 0.00 N ATOM 0 H HIS A 38 -9.377 -5.282 7.965 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.250 -7.216 7.587 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.343 -6.508 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.428 -5.035 5.523 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.150 -8.464 6.539 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.491 -5.550 3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.055 -9.170 5.282 1.00 0.00 H new ATOM 561 N THR A 39 -5.615 -5.444 8.354 1.00 0.00 N ATOM 562 CA THR A 39 -4.780 -4.478 9.060 1.00 0.00 C ATOM 563 C THR A 39 -3.416 -4.326 8.393 1.00 0.00 C ATOM 564 O THR A 39 -2.750 -5.314 8.085 1.00 0.00 O ATOM 565 CB THR A 39 -4.599 -4.904 10.519 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.664 -5.741 10.932 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.534 -3.736 11.479 1.00 0.00 C ATOM 0 H THR A 39 -5.158 -6.334 8.154 1.00 0.00 H new ATOM 0 HA THR A 39 -5.285 -3.513 9.023 1.00 0.00 H new ATOM 0 HB THR A 39 -3.646 -5.433 10.550 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.530 -6.004 11.866 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.405 -4.107 12.496 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.691 -3.096 11.217 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.459 -3.162 11.417 1.00 0.00 H new ATOM 575 N VAL A 40 -3.006 -3.079 8.182 1.00 0.00 N ATOM 576 CA VAL A 40 -1.718 -2.787 7.561 1.00 0.00 C ATOM 577 C VAL A 40 -0.898 -1.870 8.441 1.00 0.00 C ATOM 578 O VAL A 40 -1.389 -0.862 8.933 1.00 0.00 O ATOM 579 CB VAL A 40 -1.886 -2.127 6.180 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.686 -1.252 5.821 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.096 -3.193 5.130 1.00 0.00 C ATOM 0 H VAL A 40 -3.549 -2.252 8.433 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.205 -3.740 7.435 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.760 -1.477 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.843 -0.804 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.574 -0.464 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.217 -1.863 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.215 -2.723 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.233 -3.859 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.992 -3.767 5.368 1.00 0.00 H new ATOM 591 N VAL A 41 0.357 -2.213 8.624 1.00 0.00 N ATOM 592 CA VAL A 41 1.229 -1.386 9.437 1.00 0.00 C ATOM 593 C VAL A 41 2.124 -0.511 8.568 1.00 0.00 C ATOM 594 O VAL A 41 3.097 -0.983 7.982 1.00 0.00 O ATOM 595 CB VAL A 41 2.070 -2.226 10.420 1.00 0.00 C ATOM 596 CG1 VAL A 41 3.105 -1.366 11.135 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.152 -2.897 11.427 1.00 0.00 C ATOM 0 H VAL A 41 0.795 -3.045 8.229 1.00 0.00 H new ATOM 0 HA VAL A 41 0.588 -0.735 10.032 1.00 0.00 H new ATOM 0 HB VAL A 41 2.607 -2.988 9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.682 -1.986 11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.774 -0.917 10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.600 -0.579 11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.746 -3.491 12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.600 -2.137 11.979 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.450 -3.546 10.903 1.00 0.00 H new ATOM 607 N LEU A 42 1.774 0.769 8.488 1.00 0.00 N ATOM 608 CA LEU A 42 2.530 1.728 7.690 1.00 0.00 C ATOM 609 C LEU A 42 4.020 1.669 8.023 1.00 0.00 C ATOM 610 O LEU A 42 4.864 1.998 7.189 1.00 0.00 O ATOM 611 CB LEU A 42 1.991 3.143 7.917 1.00 0.00 C ATOM 612 CG LEU A 42 0.657 3.453 7.227 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.729 3.103 5.749 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.487 2.703 7.900 1.00 0.00 C ATOM 0 H LEU A 42 0.967 1.167 8.969 1.00 0.00 H new ATOM 0 HA LEU A 42 2.409 1.465 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.873 3.302 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.736 3.858 7.569 1.00 0.00 H new ATOM 0 HG LEU A 42 0.464 4.522 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.226 3.329 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.517 3.688 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.947 2.041 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.423 2.938 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.303 1.630 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.554 3.004 8.946 1.00 0.00 H new ATOM 626 N SER A 43 4.339 1.242 9.242 1.00 0.00 N ATOM 627 CA SER A 43 5.728 1.136 9.675 1.00 0.00 C ATOM 628 C SER A 43 6.473 0.094 8.848 1.00 0.00 C ATOM 629 O SER A 43 7.676 0.210 8.618 1.00 0.00 O ATOM 630 CB SER A 43 5.800 0.777 11.160 1.00 0.00 C ATOM 631 OG SER A 43 5.071 1.704 11.945 1.00 0.00 O ATOM 0 H SER A 43 3.655 0.964 9.946 1.00 0.00 H new ATOM 0 HA SER A 43 6.205 2.104 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.403 -0.226 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.841 0.761 11.483 1.00 0.00 H new ATOM 0 HG SER A 43 4.856 2.492 11.404 1.00 0.00 H new ATOM 637 N THR A 44 5.743 -0.916 8.401 1.00 0.00 N ATOM 638 CA THR A 44 6.320 -1.983 7.588 1.00 0.00 C ATOM 639 C THR A 44 6.166 -1.661 6.113 1.00 0.00 C ATOM 640 O THR A 44 7.013 -2.010 5.291 1.00 0.00 O ATOM 641 CB THR A 44 5.646 -3.324 7.894 1.00 0.00 C ATOM 642 OG1 THR A 44 4.481 -3.493 7.105 1.00 0.00 O ATOM 643 CG2 THR A 44 5.238 -3.471 9.342 1.00 0.00 C ATOM 0 H THR A 44 4.746 -1.022 8.587 1.00 0.00 H new ATOM 0 HA THR A 44 7.380 -2.059 7.832 1.00 0.00 H new ATOM 0 HB THR A 44 6.395 -4.081 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.864 -2.749 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.767 -4.443 9.490 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.120 -3.394 9.978 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.533 -2.682 9.603 1.00 0.00 H new ATOM 651 N ILE A 45 5.068 -0.995 5.791 1.00 0.00 N ATOM 652 CA ILE A 45 4.772 -0.615 4.416 1.00 0.00 C ATOM 653 C ILE A 45 5.994 0.001 3.738 1.00 0.00 C ATOM 654 O ILE A 45 6.331 1.161 3.973 1.00 0.00 O ATOM 655 CB ILE A 45 3.586 0.373 4.349 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.314 -0.290 4.884 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.368 0.867 2.925 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.039 -1.652 4.279 1.00 0.00 C ATOM 0 H ILE A 45 4.362 -0.704 6.467 1.00 0.00 H new ATOM 0 HA ILE A 45 4.497 -1.526 3.884 1.00 0.00 H new ATOM 0 HB ILE A 45 3.824 1.234 4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.395 -0.392 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.464 0.364 4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.528 1.561 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.266 1.375 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.154 0.019 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.123 -2.061 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.925 -1.554 3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.871 -2.322 4.497 1.00 0.00 H new ATOM 670 N ASP A 46 6.652 -0.791 2.898 1.00 0.00 N ATOM 671 CA ASP A 46 7.838 -0.337 2.184 1.00 0.00 C ATOM 672 C ASP A 46 7.551 0.935 1.391 1.00 0.00 C ATOM 673 O ASP A 46 8.420 1.797 1.253 1.00 0.00 O ATOM 674 CB ASP A 46 8.345 -1.434 1.244 1.00 0.00 C ATOM 675 CG ASP A 46 9.851 -1.587 1.294 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.424 -1.479 2.398 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.460 -1.814 0.227 1.00 0.00 O ATOM 0 H ASP A 46 6.382 -1.754 2.695 1.00 0.00 H new ATOM 0 HA ASP A 46 8.608 -0.114 2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.877 -2.382 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.040 -1.204 0.223 1.00 0.00 H new ATOM 682 N LYS A 47 6.334 1.049 0.868 1.00 0.00 N ATOM 683 CA LYS A 47 5.954 2.221 0.090 1.00 0.00 C ATOM 684 C LYS A 47 4.475 2.188 -0.275 1.00 0.00 C ATOM 685 O LYS A 47 3.795 1.181 -0.082 1.00 0.00 O ATOM 686 CB LYS A 47 6.798 2.310 -1.184 1.00 0.00 C ATOM 687 CG LYS A 47 7.016 0.973 -1.871 1.00 0.00 C ATOM 688 CD LYS A 47 8.241 1.003 -2.771 1.00 0.00 C ATOM 689 CE LYS A 47 8.263 -0.182 -3.722 1.00 0.00 C ATOM 690 NZ LYS A 47 9.452 -0.155 -4.617 1.00 0.00 N ATOM 0 H LYS A 47 5.599 0.349 0.968 1.00 0.00 H new ATOM 0 HA LYS A 47 6.136 3.101 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.313 2.992 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.767 2.743 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.134 0.192 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.136 0.718 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.250 1.930 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.143 0.997 -2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.262 -1.108 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.355 -0.180 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.571 -1.086 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.317 0.568 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.301 0.072 -4.060 1.00 0.00 H new ATOM 704 N LEU A 48 3.989 3.302 -0.812 1.00 0.00 N ATOM 705 CA LEU A 48 2.595 3.415 -1.219 1.00 0.00 C ATOM 706 C LEU A 48 2.492 3.437 -2.741 1.00 0.00 C ATOM 707 O LEU A 48 3.481 3.680 -3.433 1.00 0.00 O ATOM 708 CB LEU A 48 1.975 4.686 -0.634 1.00 0.00 C ATOM 709 CG LEU A 48 0.793 4.459 0.308 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.281 4.221 1.728 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.158 5.646 0.258 1.00 0.00 C ATOM 0 H LEU A 48 4.543 4.142 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 48 2.049 2.551 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.748 5.234 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.647 5.323 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 48 0.253 3.571 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.426 4.061 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.924 3.341 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.844 5.090 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.995 5.470 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.371 6.549 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.532 5.770 -0.758 1.00 0.00 H new ATOM 723 N GLN A 49 1.298 3.181 -3.260 1.00 0.00 N ATOM 724 CA GLN A 49 1.087 3.174 -4.702 1.00 0.00 C ATOM 725 C GLN A 49 -0.311 3.666 -5.057 1.00 0.00 C ATOM 726 O GLN A 49 -1.303 3.232 -4.471 1.00 0.00 O ATOM 727 CB GLN A 49 1.306 1.769 -5.263 1.00 0.00 C ATOM 728 CG GLN A 49 2.745 1.492 -5.665 1.00 0.00 C ATOM 729 CD GLN A 49 2.933 0.099 -6.235 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.637 -0.899 -5.578 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.427 0.026 -7.466 1.00 0.00 N ATOM 0 H GLN A 49 0.465 2.977 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 49 1.811 3.855 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.999 1.037 -4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.662 1.629 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.060 2.229 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.391 1.615 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.658 0.880 -7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.575 -0.884 -7.903 1.00 0.00 H new ATOM 740 N ALA A 50 -0.382 4.574 -6.027 1.00 0.00 N ATOM 741 CA ALA A 50 -1.656 5.126 -6.469 1.00 0.00 C ATOM 742 C ALA A 50 -1.689 5.267 -7.986 1.00 0.00 C ATOM 743 O ALA A 50 -0.750 5.777 -8.593 1.00 0.00 O ATOM 744 CB ALA A 50 -1.906 6.472 -5.806 1.00 0.00 C ATOM 0 H ALA A 50 0.430 4.943 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.448 4.437 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.861 6.873 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.929 6.346 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.107 7.163 -6.073 1.00 0.00 H new ATOM 750 N THR A 51 -2.779 4.807 -8.593 1.00 0.00 N ATOM 751 CA THR A 51 -2.941 4.876 -10.042 1.00 0.00 C ATOM 752 C THR A 51 -2.683 6.285 -10.565 1.00 0.00 C ATOM 753 O THR A 51 -3.543 7.162 -10.477 1.00 0.00 O ATOM 754 CB THR A 51 -4.348 4.422 -10.440 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.243 4.549 -9.351 1.00 0.00 O ATOM 756 CG2 THR A 51 -4.398 2.984 -10.911 1.00 0.00 C ATOM 0 H THR A 51 -3.565 4.381 -8.102 1.00 0.00 H new ATOM 0 HA THR A 51 -2.206 4.208 -10.491 1.00 0.00 H new ATOM 0 HB THR A 51 -4.640 5.070 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.135 3.784 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.422 2.724 -11.178 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.754 2.864 -11.782 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.054 2.327 -10.112 1.00 0.00 H new ATOM 764 N PRO A 52 -1.491 6.512 -11.141 1.00 0.00 N ATOM 765 CA PRO A 52 -1.103 7.805 -11.712 1.00 0.00 C ATOM 766 C PRO A 52 -2.187 8.385 -12.610 1.00 0.00 C ATOM 767 O PRO A 52 -3.101 7.678 -13.032 1.00 0.00 O ATOM 768 CB PRO A 52 0.151 7.471 -12.537 1.00 0.00 C ATOM 769 CG PRO A 52 0.180 5.982 -12.597 1.00 0.00 C ATOM 770 CD PRO A 52 -0.422 5.525 -11.315 1.00 0.00 C ATOM 0 HA PRO A 52 -0.934 8.557 -10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.096 7.906 -13.535 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.051 7.866 -12.066 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.387 5.612 -13.451 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.200 5.613 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.807 4.507 -11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.294 5.543 -10.493 1.00 0.00 H new ATOM 778 N ALA A 53 -2.078 9.677 -12.903 1.00 0.00 N ATOM 779 CA ALA A 53 -3.048 10.352 -13.759 1.00 0.00 C ATOM 780 C ALA A 53 -3.294 9.571 -15.051 1.00 0.00 C ATOM 781 O ALA A 53 -4.337 9.726 -15.688 1.00 0.00 O ATOM 782 CB ALA A 53 -2.578 11.762 -14.076 1.00 0.00 C ATOM 0 H ALA A 53 -1.328 10.278 -12.561 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.992 10.405 -13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.311 12.255 -14.715 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.468 12.326 -13.150 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.618 11.718 -14.591 1.00 0.00 H new ATOM 788 N SER A 54 -2.332 8.734 -15.435 1.00 0.00 N ATOM 789 CA SER A 54 -2.456 7.937 -16.652 1.00 0.00 C ATOM 790 C SER A 54 -3.453 6.797 -16.464 1.00 0.00 C ATOM 791 O SER A 54 -3.993 6.266 -17.435 1.00 0.00 O ATOM 792 CB SER A 54 -1.093 7.376 -17.062 1.00 0.00 C ATOM 793 OG SER A 54 -0.188 8.419 -17.382 1.00 0.00 O ATOM 0 H SER A 54 -1.462 8.591 -14.923 1.00 0.00 H new ATOM 0 HA SER A 54 -2.826 8.589 -17.443 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.685 6.773 -16.251 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.211 6.716 -17.922 1.00 0.00 H new ATOM 0 HG SER A 54 0.676 8.035 -17.639 1.00 0.00 H new ATOM 799 N SER A 55 -3.693 6.426 -15.213 1.00 0.00 N ATOM 800 CA SER A 55 -4.626 5.350 -14.898 1.00 0.00 C ATOM 801 C SER A 55 -5.995 5.910 -14.528 1.00 0.00 C ATOM 802 O SER A 55 -6.142 6.603 -13.522 1.00 0.00 O ATOM 803 CB SER A 55 -4.084 4.496 -13.750 1.00 0.00 C ATOM 804 OG SER A 55 -3.043 3.644 -14.195 1.00 0.00 O ATOM 0 H SER A 55 -3.254 6.855 -14.398 1.00 0.00 H new ATOM 0 HA SER A 55 -4.736 4.726 -15.785 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.714 5.143 -12.955 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.890 3.898 -13.325 1.00 0.00 H new ATOM 0 HG SER A 55 -3.345 2.712 -14.159 1.00 0.00 H new ATOM 810 N GLU A 56 -6.994 5.610 -15.351 1.00 0.00 N ATOM 811 CA GLU A 56 -8.351 6.089 -15.114 1.00 0.00 C ATOM 812 C GLU A 56 -9.048 5.279 -14.022 1.00 0.00 C ATOM 813 O GLU A 56 -10.062 5.710 -13.475 1.00 0.00 O ATOM 814 CB GLU A 56 -9.168 6.034 -16.406 1.00 0.00 C ATOM 815 CG GLU A 56 -8.442 6.609 -17.611 1.00 0.00 C ATOM 816 CD GLU A 56 -8.552 8.119 -17.693 1.00 0.00 C ATOM 817 OE1 GLU A 56 -8.834 8.750 -16.652 1.00 0.00 O ATOM 818 OE2 GLU A 56 -8.357 8.669 -18.796 1.00 0.00 O ATOM 0 H GLU A 56 -6.890 5.037 -16.188 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.282 7.123 -14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.434 4.998 -16.614 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.100 6.580 -16.260 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.390 6.327 -17.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.851 6.169 -18.521 1.00 0.00 H new ATOM 825 N LYS A 57 -8.509 4.103 -13.711 1.00 0.00 N ATOM 826 CA LYS A 57 -9.088 3.247 -12.696 1.00 0.00 C ATOM 827 C LYS A 57 -8.620 3.652 -11.301 1.00 0.00 C ATOM 828 O LYS A 57 -7.421 3.694 -11.027 1.00 0.00 O ATOM 829 CB LYS A 57 -8.738 1.778 -12.954 1.00 0.00 C ATOM 830 CG LYS A 57 -7.548 1.552 -13.872 1.00 0.00 C ATOM 831 CD LYS A 57 -7.992 1.469 -15.323 1.00 0.00 C ATOM 832 CE LYS A 57 -7.651 2.730 -16.092 1.00 0.00 C ATOM 833 NZ LYS A 57 -7.548 2.481 -17.556 1.00 0.00 N ATOM 0 H LYS A 57 -7.670 3.726 -14.152 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.170 3.366 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.537 1.295 -11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.609 1.283 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.832 2.365 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.036 0.632 -13.591 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.515 0.613 -15.800 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.068 1.298 -15.364 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.414 3.485 -15.906 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.707 3.134 -15.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.314 3.369 -18.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.802 1.779 -17.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.456 2.120 -17.912 1.00 0.00 H new ATOM 847 N MET A 58 -9.572 3.947 -10.422 1.00 0.00 N ATOM 848 CA MET A 58 -9.253 4.342 -9.055 1.00 0.00 C ATOM 849 C MET A 58 -8.807 3.135 -8.236 1.00 0.00 C ATOM 850 O MET A 58 -9.623 2.294 -7.859 1.00 0.00 O ATOM 851 CB MET A 58 -10.465 4.999 -8.394 1.00 0.00 C ATOM 852 CG MET A 58 -10.473 6.514 -8.516 1.00 0.00 C ATOM 853 SD MET A 58 -11.805 7.121 -9.569 1.00 0.00 S ATOM 854 CE MET A 58 -11.205 6.621 -11.180 1.00 0.00 C ATOM 0 H MET A 58 -10.570 3.920 -10.632 1.00 0.00 H new ATOM 0 HA MET A 58 -8.435 5.061 -9.091 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.375 4.601 -8.844 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.486 4.727 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.571 6.954 -7.523 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.517 6.847 -8.919 1.00 0.00 H new ATOM 0 HE1 MET A 58 -11.519 7.349 -11.927 1.00 0.00 H new ATOM 0 HE2 MET A 58 -10.117 6.566 -11.162 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.613 5.643 -11.433 1.00 0.00 H new ATOM 864 N MET A 59 -7.508 3.052 -7.963 1.00 0.00 N ATOM 865 CA MET A 59 -6.962 1.944 -7.189 1.00 0.00 C ATOM 866 C MET A 59 -5.603 2.301 -6.598 1.00 0.00 C ATOM 867 O MET A 59 -4.774 2.932 -7.255 1.00 0.00 O ATOM 868 CB MET A 59 -6.841 0.690 -8.061 1.00 0.00 C ATOM 869 CG MET A 59 -6.463 0.978 -9.506 1.00 0.00 C ATOM 870 SD MET A 59 -6.860 -0.388 -10.612 1.00 0.00 S ATOM 871 CE MET A 59 -5.221 -1.011 -10.964 1.00 0.00 C ATOM 0 H MET A 59 -6.816 3.738 -8.266 1.00 0.00 H new ATOM 0 HA MET A 59 -7.649 1.741 -6.368 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.093 0.027 -7.625 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.790 0.155 -8.044 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.983 1.875 -9.842 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.395 1.188 -9.563 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.293 -1.863 -11.639 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.626 -0.226 -11.432 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.743 -1.323 -10.035 1.00 0.00 H new ATOM 881 N LEU A 60 -5.382 1.890 -5.354 1.00 0.00 N ATOM 882 CA LEU A 60 -4.123 2.163 -4.668 1.00 0.00 C ATOM 883 C LEU A 60 -3.492 0.869 -4.158 1.00 0.00 C ATOM 884 O LEU A 60 -4.192 -0.048 -3.730 1.00 0.00 O ATOM 885 CB LEU A 60 -4.353 3.128 -3.502 1.00 0.00 C ATOM 886 CG LEU A 60 -4.003 4.589 -3.790 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.029 5.208 -4.728 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.918 5.381 -2.495 1.00 0.00 C ATOM 0 H LEU A 60 -6.059 1.366 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.439 2.624 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.401 3.073 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.763 2.791 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.029 4.621 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.764 6.247 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.043 4.656 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.016 5.165 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.668 6.418 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.878 5.342 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.146 4.952 -1.856 1.00 0.00 H new ATOM 900 N ARG A 61 -2.165 0.803 -4.209 1.00 0.00 N ATOM 901 CA ARG A 61 -1.439 -0.378 -3.752 1.00 0.00 C ATOM 902 C ARG A 61 -0.590 -0.057 -2.527 1.00 0.00 C ATOM 903 O ARG A 61 -0.190 1.088 -2.318 1.00 0.00 O ATOM 904 CB ARG A 61 -0.558 -0.928 -4.875 1.00 0.00 C ATOM 905 CG ARG A 61 -1.252 -1.969 -5.737 1.00 0.00 C ATOM 906 CD ARG A 61 -0.949 -3.381 -5.258 1.00 0.00 C ATOM 907 NE ARG A 61 -0.742 -4.304 -6.371 1.00 0.00 N ATOM 908 CZ ARG A 61 0.326 -4.279 -7.165 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.285 -3.382 -6.972 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.437 -5.156 -8.154 1.00 0.00 N ATOM 0 H ARG A 61 -1.570 1.553 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.170 -1.137 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.233 -0.102 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.339 -1.368 -4.439 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.329 -1.800 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.931 -1.858 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.059 -3.367 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.772 -3.738 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.457 -5.009 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.206 -2.707 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.101 -3.368 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.296 -5.849 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.255 -5.137 -8.763 1.00 0.00 H new ATOM 924 N LEU A 62 -0.328 -1.076 -1.716 1.00 0.00 N ATOM 925 CA LEU A 62 0.463 -0.908 -0.503 1.00 0.00 C ATOM 926 C LEU A 62 1.607 -1.916 -0.449 1.00 0.00 C ATOM 927 O LEU A 62 1.379 -3.123 -0.369 1.00 0.00 O ATOM 928 CB LEU A 62 -0.436 -1.074 0.729 1.00 0.00 C ATOM 929 CG LEU A 62 -0.211 -0.083 1.885 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.618 1.117 1.456 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.546 0.379 2.440 1.00 0.00 C ATOM 0 H LEU A 62 -0.653 -2.029 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 62 0.892 0.094 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.474 -0.992 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.301 -2.084 1.115 1.00 0.00 H new ATOM 0 HG LEU A 62 0.348 -0.606 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.751 1.789 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.593 0.779 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.105 1.645 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.377 1.080 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.117 0.871 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.104 -0.482 2.809 1.00 0.00 H new ATOM 943 N ILE A 63 2.837 -1.414 -0.485 1.00 0.00 N ATOM 944 CA ILE A 63 4.013 -2.273 -0.431 1.00 0.00 C ATOM 945 C ILE A 63 4.410 -2.549 1.014 1.00 0.00 C ATOM 946 O ILE A 63 4.493 -1.630 1.824 1.00 0.00 O ATOM 947 CB ILE A 63 5.211 -1.641 -1.172 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.848 -1.369 -2.630 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.432 -2.548 -1.089 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.406 -2.605 -3.378 1.00 0.00 C ATOM 0 H ILE A 63 3.045 -0.418 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 63 3.750 -3.209 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 63 5.454 -0.694 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.051 -0.627 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.710 -0.935 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.266 -2.085 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.703 -2.698 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.202 -3.510 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.163 -2.340 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.210 -3.341 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.525 -3.027 -2.895 1.00 0.00 H new ATOM 962 N GLY A 64 4.651 -3.817 1.328 1.00 0.00 N ATOM 963 CA GLY A 64 5.033 -4.187 2.681 1.00 0.00 C ATOM 964 C GLY A 64 6.530 -4.380 2.831 1.00 0.00 C ATOM 965 O GLY A 64 7.245 -4.520 1.838 1.00 0.00 O ATOM 0 H GLY A 64 4.589 -4.595 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.699 -3.414 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.522 -5.108 2.960 1.00 0.00 H new ATOM 969 N LYS A 65 7.007 -4.389 4.073 1.00 0.00 N ATOM 970 CA LYS A 65 8.430 -4.569 4.342 1.00 0.00 C ATOM 971 C LYS A 65 8.943 -5.865 3.721 1.00 0.00 C ATOM 972 O LYS A 65 8.234 -6.871 3.684 1.00 0.00 O ATOM 973 CB LYS A 65 8.690 -4.573 5.849 1.00 0.00 C ATOM 974 CG LYS A 65 9.918 -3.775 6.256 1.00 0.00 C ATOM 975 CD LYS A 65 9.736 -2.293 5.972 1.00 0.00 C ATOM 976 CE LYS A 65 10.958 -1.492 6.390 1.00 0.00 C ATOM 977 NZ LYS A 65 10.947 -1.180 7.846 1.00 0.00 N ATOM 0 H LYS A 65 6.431 -4.274 4.907 1.00 0.00 H new ATOM 0 HA LYS A 65 8.967 -3.735 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.817 -4.168 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.808 -5.603 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.114 -3.922 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.790 -4.146 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.549 -2.145 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.859 -1.925 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.860 -2.053 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.996 -0.564 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.797 -0.633 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.099 -0.623 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.937 -2.066 8.391 1.00 0.00 H new ATOM 991 N VAL A 66 10.178 -5.831 3.232 1.00 0.00 N ATOM 992 CA VAL A 66 10.791 -6.979 2.617 1.00 0.00 C ATOM 993 C VAL A 66 11.832 -7.581 3.553 1.00 0.00 C ATOM 994 O VAL A 66 11.531 -7.935 4.693 1.00 0.00 O ATOM 995 CB VAL A 66 11.384 -6.574 1.245 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.483 -5.529 1.403 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.878 -7.796 0.479 1.00 0.00 C ATOM 0 H VAL A 66 10.773 -5.003 3.256 1.00 0.00 H new ATOM 0 HA VAL A 66 10.045 -7.753 2.436 1.00 0.00 H new ATOM 0 HB VAL A 66 10.586 -6.119 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.879 -5.266 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.073 -4.639 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.284 -5.934 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.289 -7.482 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.652 -8.300 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.047 -8.481 0.311 1.00 0.00 H new ATOM 1007 N ASP A 67 13.034 -7.691 3.069 1.00 0.00 N ATOM 1008 CA ASP A 67 14.141 -8.247 3.839 1.00 0.00 C ATOM 1009 C ASP A 67 15.461 -8.078 3.095 1.00 0.00 C ATOM 1010 O ASP A 67 15.627 -8.581 1.983 1.00 0.00 O ATOM 1011 CB ASP A 67 13.892 -9.728 4.132 1.00 0.00 C ATOM 1012 CG ASP A 67 13.637 -10.532 2.872 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.619 -11.001 2.258 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.456 -10.691 2.498 1.00 0.00 O ATOM 0 H ASP A 67 13.290 -7.400 2.125 1.00 0.00 H new ATOM 0 HA ASP A 67 14.205 -7.703 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.754 -10.142 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.037 -9.824 4.801 1.00 0.00 H new ATOM 1019 N GLU A 68 16.397 -7.367 3.715 1.00 0.00 N ATOM 1020 CA GLU A 68 17.704 -7.131 3.111 1.00 0.00 C ATOM 1021 C GLU A 68 18.761 -8.038 3.734 1.00 0.00 C ATOM 1022 O GLU A 68 19.931 -7.666 3.830 1.00 0.00 O ATOM 1023 CB GLU A 68 18.109 -5.666 3.278 1.00 0.00 C ATOM 1024 CG GLU A 68 17.232 -4.700 2.498 1.00 0.00 C ATOM 1025 CD GLU A 68 16.916 -3.439 3.280 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.323 -3.553 4.374 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.260 -2.340 2.797 1.00 0.00 O ATOM 0 H GLU A 68 16.275 -6.944 4.635 1.00 0.00 H new ATOM 0 HA GLU A 68 17.633 -7.361 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.071 -5.405 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.144 -5.545 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.732 -4.431 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.301 -5.198 2.227 1.00 0.00 H new ATOM 1034 N SER A 69 18.342 -9.227 4.153 1.00 0.00 N ATOM 1035 CA SER A 69 19.254 -10.186 4.766 1.00 0.00 C ATOM 1036 C SER A 69 19.747 -11.208 3.746 1.00 0.00 C ATOM 1037 O SER A 69 20.783 -11.843 3.941 1.00 0.00 O ATOM 1038 CB SER A 69 18.568 -10.901 5.932 1.00 0.00 C ATOM 1039 OG SER A 69 17.450 -11.648 5.484 1.00 0.00 O ATOM 0 H SER A 69 17.377 -9.550 4.079 1.00 0.00 H new ATOM 0 HA SER A 69 20.116 -9.635 5.141 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.279 -11.564 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.247 -10.169 6.674 1.00 0.00 H new ATOM 0 HG SER A 69 17.030 -12.097 6.247 1.00 0.00 H new ATOM 1045 N LYS A 70 18.999 -11.363 2.660 1.00 0.00 N ATOM 1046 CA LYS A 70 19.362 -12.309 1.611 1.00 0.00 C ATOM 1047 C LYS A 70 18.884 -11.819 0.247 1.00 0.00 C ATOM 1048 O LYS A 70 17.786 -12.156 -0.195 1.00 0.00 O ATOM 1049 CB LYS A 70 18.764 -13.685 1.908 1.00 0.00 C ATOM 1050 CG LYS A 70 19.267 -14.300 3.205 1.00 0.00 C ATOM 1051 CD LYS A 70 20.753 -14.611 3.135 1.00 0.00 C ATOM 1052 CE LYS A 70 21.041 -15.732 2.150 1.00 0.00 C ATOM 1053 NZ LYS A 70 22.345 -16.396 2.429 1.00 0.00 N ATOM 0 H LYS A 70 18.138 -10.846 2.483 1.00 0.00 H new ATOM 0 HA LYS A 70 20.449 -12.389 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.678 -13.598 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.995 -14.358 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.076 -13.615 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.712 -15.215 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.300 -13.716 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.114 -14.893 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.241 -16.470 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.047 -15.332 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.504 -17.154 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.112 -15.697 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.331 -16.801 3.387 1.00 0.00 H new ATOM 1067 N LYS A 71 19.717 -11.022 -0.414 1.00 0.00 N ATOM 1068 CA LYS A 71 19.380 -10.486 -1.728 1.00 0.00 C ATOM 1069 C LYS A 71 19.233 -11.607 -2.750 1.00 0.00 C ATOM 1070 O LYS A 71 19.559 -12.761 -2.473 1.00 0.00 O ATOM 1071 CB LYS A 71 20.453 -9.497 -2.189 1.00 0.00 C ATOM 1072 CG LYS A 71 20.215 -8.074 -1.709 1.00 0.00 C ATOM 1073 CD LYS A 71 20.379 -7.069 -2.838 1.00 0.00 C ATOM 1074 CE LYS A 71 20.220 -5.642 -2.340 1.00 0.00 C ATOM 1075 NZ LYS A 71 19.740 -4.728 -3.414 1.00 0.00 N ATOM 0 H LYS A 71 20.630 -10.733 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 71 18.426 -9.965 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 71 21.425 -9.835 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.496 -9.502 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.211 -7.993 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.914 -7.838 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.362 -7.189 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.641 -7.269 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.517 -5.624 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.175 -5.283 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.645 -3.765 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.423 -4.724 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.816 -5.056 -3.762 1.00 0.00 H new ATOM 1089 N ARG A 72 18.740 -11.260 -3.935 1.00 0.00 N ATOM 1090 CA ARG A 72 18.549 -12.238 -4.999 1.00 0.00 C ATOM 1091 C ARG A 72 18.450 -11.552 -6.358 1.00 0.00 C ATOM 1092 O ARG A 72 18.326 -10.330 -6.440 1.00 0.00 O ATOM 1093 CB ARG A 72 17.289 -13.066 -4.740 1.00 0.00 C ATOM 1094 CG ARG A 72 16.024 -12.230 -4.630 1.00 0.00 C ATOM 1095 CD ARG A 72 15.272 -12.182 -5.950 1.00 0.00 C ATOM 1096 NE ARG A 72 14.363 -11.040 -6.021 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.358 -10.945 -6.889 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.130 -11.920 -7.760 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.580 -9.872 -6.886 1.00 0.00 N ATOM 0 H ARG A 72 18.466 -10.309 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 72 19.415 -12.900 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.168 -13.789 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.420 -13.634 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.378 -12.646 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.282 -11.217 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.986 -12.129 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.706 -13.105 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 72 14.507 -10.270 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.726 -12.748 -7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.359 -11.842 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.751 -9.120 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.810 -9.799 -7.551 1.00 0.00 H new ATOM 1113 N LYS A 73 18.506 -12.346 -7.422 1.00 0.00 N ATOM 1114 CA LYS A 73 18.421 -11.815 -8.777 1.00 0.00 C ATOM 1115 C LYS A 73 17.083 -12.167 -9.419 1.00 0.00 C ATOM 1116 O LYS A 73 16.283 -12.904 -8.842 1.00 0.00 O ATOM 1117 CB LYS A 73 19.569 -12.358 -9.633 1.00 0.00 C ATOM 1118 CG LYS A 73 20.920 -12.312 -8.937 1.00 0.00 C ATOM 1119 CD LYS A 73 21.990 -11.711 -9.833 1.00 0.00 C ATOM 1120 CE LYS A 73 23.365 -12.273 -9.512 1.00 0.00 C ATOM 1121 NZ LYS A 73 23.610 -13.572 -10.199 1.00 0.00 N ATOM 0 H LYS A 73 18.610 -13.359 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 73 18.500 -10.729 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 73 19.348 -13.388 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 73 19.626 -11.783 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 73 20.839 -11.725 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.214 -13.320 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.748 -11.913 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 73 22.001 -10.628 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 73 24.129 -11.555 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 73 23.459 -12.409 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 24.558 -13.921 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 22.897 -14.265 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 23.546 -13.438 -11.228 1.00 0.00 H new ATOM 1135 N ASP A 74 16.846 -11.635 -10.613 1.00 0.00 N ATOM 1136 CA ASP A 74 15.604 -11.894 -11.332 1.00 0.00 C ATOM 1137 C ASP A 74 15.813 -12.933 -12.430 1.00 0.00 C ATOM 1138 O ASP A 74 15.089 -12.951 -13.426 1.00 0.00 O ATOM 1139 CB ASP A 74 15.061 -10.598 -11.937 1.00 0.00 C ATOM 1140 CG ASP A 74 13.548 -10.523 -11.881 1.00 0.00 C ATOM 1141 OD1 ASP A 74 12.904 -11.588 -11.780 1.00 0.00 O ATOM 1142 OD2 ASP A 74 13.007 -9.399 -11.938 1.00 0.00 O ATOM 0 H ASP A 74 17.497 -11.022 -11.103 1.00 0.00 H new ATOM 0 HA ASP A 74 14.879 -12.288 -10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.484 -9.746 -11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.388 -10.520 -12.974 1.00 0.00 H new ATOM 1147 N ASN A 75 16.808 -13.800 -12.241 1.00 0.00 N ATOM 1148 CA ASN A 75 17.118 -14.849 -13.214 1.00 0.00 C ATOM 1149 C ASN A 75 17.847 -14.288 -14.436 1.00 0.00 C ATOM 1150 O ASN A 75 18.186 -15.033 -15.356 1.00 0.00 O ATOM 1151 CB ASN A 75 15.839 -15.560 -13.659 1.00 0.00 C ATOM 1152 CG ASN A 75 16.097 -16.982 -14.119 1.00 0.00 C ATOM 1153 OD1 ASN A 75 15.822 -17.940 -13.396 1.00 0.00 O ATOM 1154 ND2 ASN A 75 16.629 -17.125 -15.327 1.00 0.00 N ATOM 0 H ASN A 75 17.415 -13.797 -11.421 1.00 0.00 H new ATOM 0 HA ASN A 75 17.778 -15.564 -12.723 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.127 -15.572 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.377 -14.997 -14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.826 -18.057 -15.690 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.841 -16.302 -15.892 1.00 0.00 H new ATOM 1161 N GLU A 76 18.087 -12.981 -14.446 1.00 0.00 N ATOM 1162 CA GLU A 76 18.775 -12.339 -15.560 1.00 0.00 C ATOM 1163 C GLU A 76 20.201 -11.978 -15.173 1.00 0.00 C ATOM 1164 O GLU A 76 21.104 -11.967 -16.011 1.00 0.00 O ATOM 1165 CB GLU A 76 18.023 -11.079 -15.999 1.00 0.00 C ATOM 1166 CG GLU A 76 16.534 -11.114 -15.693 1.00 0.00 C ATOM 1167 CD GLU A 76 15.816 -9.858 -16.145 1.00 0.00 C ATOM 1168 OE1 GLU A 76 15.430 -9.789 -17.330 1.00 0.00 O ATOM 1169 OE2 GLU A 76 15.639 -8.943 -15.313 1.00 0.00 O ATOM 0 H GLU A 76 17.815 -12.346 -13.696 1.00 0.00 H new ATOM 0 HA GLU A 76 18.804 -13.043 -16.391 1.00 0.00 H new ATOM 0 HB2 GLU A 76 18.465 -10.213 -15.506 1.00 0.00 H new ATOM 0 HB3 GLU A 76 18.161 -10.940 -17.071 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.087 -11.980 -16.182 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.390 -11.244 -14.620 1.00 0.00 H new ATOM 1176 N GLY A 77 20.390 -11.681 -13.898 1.00 0.00 N ATOM 1177 CA GLY A 77 21.703 -11.317 -13.402 1.00 0.00 C ATOM 1178 C GLY A 77 21.675 -10.074 -12.530 1.00 0.00 C ATOM 1179 O GLY A 77 22.678 -9.723 -11.909 1.00 0.00 O ATOM 0 H GLY A 77 19.654 -11.685 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.114 -12.148 -12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.372 -11.149 -14.246 1.00 0.00 H new ATOM 1183 N ASN A 78 20.526 -9.405 -12.485 1.00 0.00 N ATOM 1184 CA ASN A 78 20.379 -8.196 -11.683 1.00 0.00 C ATOM 1185 C ASN A 78 19.942 -8.537 -10.261 1.00 0.00 C ATOM 1186 O ASN A 78 18.805 -8.949 -10.033 1.00 0.00 O ATOM 1187 CB ASN A 78 19.362 -7.250 -12.326 1.00 0.00 C ATOM 1188 CG ASN A 78 19.567 -7.106 -13.821 1.00 0.00 C ATOM 1189 OD1 ASN A 78 18.663 -7.370 -14.613 1.00 0.00 O ATOM 1190 ND2 ASN A 78 20.764 -6.686 -14.215 1.00 0.00 N ATOM 0 H ASN A 78 19.686 -9.680 -12.994 1.00 0.00 H new ATOM 0 HA ASN A 78 21.349 -7.700 -11.639 1.00 0.00 H new ATOM 0 HB2 ASN A 78 18.355 -7.620 -12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 78 19.436 -6.269 -11.856 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.962 -6.571 -15.209 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.485 -6.478 -13.524 1.00 0.00 H new ATOM 1197 N GLU A 79 20.854 -8.364 -9.310 1.00 0.00 N ATOM 1198 CA GLU A 79 20.563 -8.655 -7.911 1.00 0.00 C ATOM 1199 C GLU A 79 19.504 -7.702 -7.367 1.00 0.00 C ATOM 1200 O GLU A 79 19.818 -6.747 -6.656 1.00 0.00 O ATOM 1201 CB GLU A 79 21.838 -8.551 -7.071 1.00 0.00 C ATOM 1202 CG GLU A 79 22.547 -7.214 -7.202 1.00 0.00 C ATOM 1203 CD GLU A 79 23.737 -7.274 -8.141 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.740 -8.142 -9.040 1.00 0.00 O ATOM 1205 OE2 GLU A 79 24.665 -6.455 -7.977 1.00 0.00 O ATOM 0 H GLU A 79 21.800 -8.024 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 79 20.177 -9.673 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.587 -8.718 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.523 -9.346 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.841 -6.466 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.882 -6.886 -6.218 1.00 0.00 H new ATOM 1212 N VAL A 80 18.247 -7.968 -7.705 1.00 0.00 N ATOM 1213 CA VAL A 80 17.139 -7.136 -7.252 1.00 0.00 C ATOM 1214 C VAL A 80 16.673 -7.553 -5.860 1.00 0.00 C ATOM 1215 O VAL A 80 17.279 -8.415 -5.223 1.00 0.00 O ATOM 1216 CB VAL A 80 15.949 -7.204 -8.228 1.00 0.00 C ATOM 1217 CG1 VAL A 80 16.375 -6.762 -9.620 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.360 -8.608 -8.266 1.00 0.00 C ATOM 0 H VAL A 80 17.970 -8.755 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 80 17.506 -6.110 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 80 15.176 -6.522 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.522 -6.816 -10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.741 -5.736 -9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.168 -7.416 -9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.521 -8.632 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.123 -9.314 -8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.013 -8.884 -7.270 1.00 0.00 H new ATOM 1228 N VAL A 81 15.592 -6.937 -5.393 1.00 0.00 N ATOM 1229 CA VAL A 81 15.044 -7.246 -4.078 1.00 0.00 C ATOM 1230 C VAL A 81 13.778 -8.093 -4.200 1.00 0.00 C ATOM 1231 O VAL A 81 12.925 -7.826 -5.046 1.00 0.00 O ATOM 1232 CB VAL A 81 14.717 -5.963 -3.291 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.283 -6.298 -1.872 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.913 -5.021 -3.281 1.00 0.00 C ATOM 0 H VAL A 81 15.078 -6.221 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 81 15.806 -7.808 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 81 13.889 -5.458 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.057 -5.378 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.394 -6.928 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.087 -6.829 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.662 -4.121 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.762 -5.516 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.172 -4.751 -4.305 1.00 0.00 H new ATOM 1244 N PRO A 82 13.636 -9.129 -3.353 1.00 0.00 N ATOM 1245 CA PRO A 82 12.467 -10.012 -3.373 1.00 0.00 C ATOM 1246 C PRO A 82 11.154 -9.236 -3.356 1.00 0.00 C ATOM 1247 O PRO A 82 11.011 -8.255 -2.626 1.00 0.00 O ATOM 1248 CB PRO A 82 12.612 -10.855 -2.097 1.00 0.00 C ATOM 1249 CG PRO A 82 13.717 -10.225 -1.318 1.00 0.00 C ATOM 1250 CD PRO A 82 14.591 -9.526 -2.315 1.00 0.00 C ATOM 0 HA PRO A 82 12.434 -10.611 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.684 -10.861 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.845 -11.892 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.323 -9.521 -0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.281 -10.977 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.096 -8.665 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.366 -10.185 -2.707 1.00 0.00 H new ATOM 1258 N LYS A 83 10.199 -9.684 -4.165 1.00 0.00 N ATOM 1259 CA LYS A 83 8.896 -9.033 -4.247 1.00 0.00 C ATOM 1260 C LYS A 83 8.243 -8.933 -2.868 1.00 0.00 C ATOM 1261 O LYS A 83 7.823 -9.941 -2.299 1.00 0.00 O ATOM 1262 CB LYS A 83 7.980 -9.803 -5.200 1.00 0.00 C ATOM 1263 CG LYS A 83 8.208 -9.469 -6.666 1.00 0.00 C ATOM 1264 CD LYS A 83 9.145 -10.467 -7.325 1.00 0.00 C ATOM 1265 CE LYS A 83 8.375 -11.539 -8.080 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.284 -12.475 -8.798 1.00 0.00 N ATOM 0 H LYS A 83 10.303 -10.496 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 83 9.047 -8.024 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.132 -10.872 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.942 -9.590 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.253 -9.463 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.625 -8.466 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.811 -9.944 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.773 -10.934 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.755 -12.100 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.702 -11.066 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.720 -13.190 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.858 -11.944 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.909 -12.945 -8.113 1.00 0.00 H new ATOM 1280 N PRO A 84 8.149 -7.713 -2.307 1.00 0.00 N ATOM 1281 CA PRO A 84 7.544 -7.494 -0.988 1.00 0.00 C ATOM 1282 C PRO A 84 6.035 -7.714 -0.996 1.00 0.00 C ATOM 1283 O PRO A 84 5.352 -7.362 -1.958 1.00 0.00 O ATOM 1284 CB PRO A 84 7.866 -6.033 -0.685 1.00 0.00 C ATOM 1285 CG PRO A 84 8.010 -5.403 -2.021 1.00 0.00 C ATOM 1286 CD PRO A 84 8.622 -6.452 -2.906 1.00 0.00 C ATOM 0 HA PRO A 84 7.930 -8.193 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.071 -5.562 -0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.782 -5.941 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.043 -5.081 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.643 -4.517 -1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.293 -6.349 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.710 -6.391 -2.910 1.00 0.00 H new ATOM 1294 N GLN A 85 5.520 -8.294 0.083 1.00 0.00 N ATOM 1295 CA GLN A 85 4.089 -8.553 0.199 1.00 0.00 C ATOM 1296 C GLN A 85 3.304 -7.247 0.167 1.00 0.00 C ATOM 1297 O GLN A 85 3.449 -6.404 1.051 1.00 0.00 O ATOM 1298 CB GLN A 85 3.788 -9.313 1.491 1.00 0.00 C ATOM 1299 CG GLN A 85 4.411 -10.699 1.542 1.00 0.00 C ATOM 1300 CD GLN A 85 3.564 -11.745 0.845 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.545 -12.190 1.376 1.00 0.00 O ATOM 1302 NE2 GLN A 85 3.981 -12.144 -0.351 1.00 0.00 N ATOM 0 H GLN A 85 6.070 -8.593 0.888 1.00 0.00 H new ATOM 0 HA GLN A 85 3.783 -9.165 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.150 -8.730 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.708 -9.405 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.397 -10.667 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.557 -10.990 2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.831 -11.748 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.451 -12.846 -0.868 1.00 0.00 H new ATOM 1311 N ARG A 86 2.476 -7.082 -0.860 1.00 0.00 N ATOM 1312 CA ARG A 86 1.675 -5.873 -1.005 1.00 0.00 C ATOM 1313 C ARG A 86 0.194 -6.207 -1.159 1.00 0.00 C ATOM 1314 O ARG A 86 -0.167 -7.331 -1.506 1.00 0.00 O ATOM 1315 CB ARG A 86 2.153 -5.063 -2.212 1.00 0.00 C ATOM 1316 CG ARG A 86 2.118 -5.839 -3.518 1.00 0.00 C ATOM 1317 CD ARG A 86 3.204 -5.371 -4.474 1.00 0.00 C ATOM 1318 NE ARG A 86 3.183 -6.113 -5.732 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.562 -7.383 -5.850 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.992 -8.056 -4.789 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.513 -7.983 -7.032 1.00 0.00 N ATOM 0 H ARG A 86 2.343 -7.769 -1.602 1.00 0.00 H new ATOM 0 HA ARG A 86 1.799 -5.279 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.531 -4.173 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.172 -4.721 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.245 -6.902 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.142 -5.719 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.074 -4.308 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.179 -5.488 -4.000 1.00 0.00 H new ATOM 0 HE ARG A 86 2.859 -5.629 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.033 -7.600 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.281 -9.029 -4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.185 -7.471 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.804 -8.957 -7.122 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.655 -5.218 -0.902 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.098 -5.397 -1.014 1.00 0.00 C ATOM 1337 C HIS A 87 -2.662 -4.534 -2.140 1.00 0.00 C ATOM 1338 O HIS A 87 -2.114 -3.479 -2.457 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.783 -5.044 0.308 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.081 -5.589 1.512 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.016 -6.936 1.802 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.406 -4.959 2.504 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -1.334 -7.111 2.920 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.952 -5.929 3.365 1.00 0.00 N ATOM 0 H HIS A 87 -0.368 -4.282 -0.614 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.294 -6.444 -1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.848 -3.959 0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.805 -5.424 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.253 -3.894 2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.125 -8.061 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.408 -5.762 4.211 1.00 0.00 H new ATOM 1353 N MET A 88 -3.756 -4.991 -2.740 1.00 0.00 N ATOM 1354 CA MET A 88 -4.386 -4.258 -3.832 1.00 0.00 C ATOM 1355 C MET A 88 -5.732 -3.682 -3.402 1.00 0.00 C ATOM 1356 O MET A 88 -6.696 -4.419 -3.195 1.00 0.00 O ATOM 1357 CB MET A 88 -4.576 -5.173 -5.044 1.00 0.00 C ATOM 1358 CG MET A 88 -4.793 -4.419 -6.346 1.00 0.00 C ATOM 1359 SD MET A 88 -4.339 -5.392 -7.795 1.00 0.00 S ATOM 1360 CE MET A 88 -3.516 -4.152 -8.791 1.00 0.00 C ATOM 0 H MET A 88 -4.223 -5.862 -2.490 1.00 0.00 H new ATOM 0 HA MET A 88 -3.730 -3.432 -4.105 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.700 -5.814 -5.146 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.430 -5.827 -4.865 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.840 -4.127 -6.422 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.207 -3.500 -6.332 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.223 -4.588 -9.746 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.194 -3.317 -8.966 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.629 -3.795 -8.268 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.792 -2.360 -3.277 1.00 0.00 N ATOM 1371 CA PHE A 89 -7.019 -1.684 -2.878 1.00 0.00 C ATOM 1372 C PHE A 89 -7.590 -0.879 -4.041 1.00 0.00 C ATOM 1373 O PHE A 89 -6.875 -0.116 -4.691 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.757 -0.763 -1.684 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.130 -1.464 -0.514 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.748 -2.561 0.067 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.923 -1.027 0.007 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.173 -3.208 1.144 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.344 -1.670 1.084 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.970 -2.762 1.653 1.00 0.00 C ATOM 0 H PHE A 89 -5.003 -1.736 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.747 -2.441 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.107 0.053 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.699 -0.315 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.690 -2.914 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.429 -0.174 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.664 -4.062 1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.403 -1.319 1.481 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.519 -3.266 2.495 1.00 0.00 H new ATOM 1390 N SER A 90 -8.881 -1.056 -4.303 1.00 0.00 N ATOM 1391 CA SER A 90 -9.541 -0.346 -5.393 1.00 0.00 C ATOM 1392 C SER A 90 -10.466 0.744 -4.858 1.00 0.00 C ATOM 1393 O SER A 90 -11.460 0.458 -4.194 1.00 0.00 O ATOM 1394 CB SER A 90 -10.334 -1.325 -6.259 1.00 0.00 C ATOM 1395 OG SER A 90 -10.752 -2.451 -5.507 1.00 0.00 O ATOM 0 H SER A 90 -9.490 -1.683 -3.777 1.00 0.00 H new ATOM 0 HA SER A 90 -8.771 0.127 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.205 -0.821 -6.678 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.720 -1.652 -7.098 1.00 0.00 H new ATOM 0 HG SER A 90 -11.116 -3.131 -6.111 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.128 1.993 -5.156 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.926 3.129 -4.709 1.00 0.00 C ATOM 1403 C PHE A 91 -12.099 3.369 -5.655 1.00 0.00 C ATOM 1404 O PHE A 91 -11.987 3.158 -6.863 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.055 4.382 -4.617 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.167 4.404 -3.406 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.358 3.318 -3.101 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.143 5.506 -2.569 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.544 3.334 -1.984 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.331 5.529 -1.452 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.530 4.442 -1.157 1.00 0.00 C ATOM 0 H PHE A 91 -9.306 2.245 -5.705 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.324 2.903 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.437 4.453 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.698 5.262 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.365 2.450 -3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.767 6.359 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.920 2.482 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.322 6.397 -0.809 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.895 4.458 -0.283 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.225 3.806 -5.100 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.419 4.065 -5.897 1.00 0.00 C ATOM 1423 C ASN A 92 -14.669 5.562 -6.058 1.00 0.00 C ATOM 1424 O ASN A 92 -15.805 5.990 -6.260 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.638 3.402 -5.255 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.817 3.801 -3.803 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.557 4.943 -3.426 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.262 2.859 -2.981 1.00 0.00 N ATOM 0 H ASN A 92 -13.336 3.988 -4.103 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.255 3.640 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.533 3.673 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.536 2.319 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.401 3.069 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.465 1.925 -3.338 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.606 6.355 -5.971 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.723 7.802 -6.112 1.00 0.00 C ATOM 1437 C ASN A 93 -12.347 8.460 -6.160 1.00 0.00 C ATOM 1438 O ASN A 93 -11.365 7.906 -5.665 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.543 8.385 -4.959 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.536 9.429 -5.427 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.300 9.200 -6.365 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.532 10.585 -4.774 1.00 0.00 N ATOM 0 H ASN A 93 -12.657 6.021 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.235 8.009 -7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.077 7.580 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.870 8.830 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.179 11.326 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.882 10.732 -4.002 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.285 9.644 -6.759 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.032 10.380 -6.873 1.00 0.00 C ATOM 1451 C ARG A 94 -10.704 11.101 -5.571 1.00 0.00 C ATOM 1452 O ARG A 94 -9.546 11.171 -5.160 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.112 11.389 -8.019 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.230 12.407 -7.862 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.715 13.715 -7.282 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.721 14.773 -7.343 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.123 15.350 -8.473 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.610 14.974 -9.638 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.042 16.304 -8.438 1.00 0.00 N ATOM 0 H ARG A 94 -13.089 10.115 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.237 9.664 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.161 11.916 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.252 10.850 -8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.692 12.594 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.005 12.000 -7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.415 13.559 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.825 14.029 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.140 15.088 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.904 14.239 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.922 15.420 -10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.441 16.596 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.351 16.747 -9.303 1.00 0.00 H new ATOM 1473 N THR A 95 -11.735 11.637 -4.925 1.00 0.00 N ATOM 1474 CA THR A 95 -11.564 12.354 -3.671 1.00 0.00 C ATOM 1475 C THR A 95 -11.069 11.415 -2.571 1.00 0.00 C ATOM 1476 O THR A 95 -10.135 11.740 -1.839 1.00 0.00 O ATOM 1477 CB THR A 95 -12.879 13.025 -3.276 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.828 14.417 -3.534 1.00 0.00 O ATOM 1479 CG2 THR A 95 -13.248 12.847 -1.821 1.00 0.00 C ATOM 0 H THR A 95 -12.700 11.587 -5.253 1.00 0.00 H new ATOM 0 HA THR A 95 -10.807 13.127 -3.805 1.00 0.00 H new ATOM 0 HB THR A 95 -13.637 12.530 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.679 14.829 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.193 13.352 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.350 11.785 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.467 13.276 -1.193 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.700 10.250 -2.464 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.322 9.269 -1.455 1.00 0.00 C ATOM 1489 C VAL A 96 -9.865 8.844 -1.621 1.00 0.00 C ATOM 1490 O VAL A 96 -9.210 8.448 -0.657 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.225 8.019 -1.515 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.060 7.292 -2.842 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.927 7.090 -0.347 1.00 0.00 C ATOM 0 H VAL A 96 -12.474 9.963 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.449 9.749 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.263 8.343 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.707 6.415 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.332 7.960 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.022 6.980 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.573 6.214 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.884 6.776 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.110 7.614 0.591 1.00 0.00 H new ATOM 1503 N MET A 97 -9.362 8.933 -2.849 1.00 0.00 N ATOM 1504 CA MET A 97 -7.983 8.560 -3.140 1.00 0.00 C ATOM 1505 C MET A 97 -7.013 9.578 -2.557 1.00 0.00 C ATOM 1506 O MET A 97 -5.963 9.222 -2.021 1.00 0.00 O ATOM 1507 CB MET A 97 -7.776 8.437 -4.653 1.00 0.00 C ATOM 1508 CG MET A 97 -6.321 8.268 -5.063 1.00 0.00 C ATOM 1509 SD MET A 97 -6.140 7.711 -6.769 1.00 0.00 S ATOM 1510 CE MET A 97 -5.347 9.137 -7.508 1.00 0.00 C ATOM 0 H MET A 97 -9.890 9.260 -3.658 1.00 0.00 H new ATOM 0 HA MET A 97 -7.784 7.594 -2.677 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.348 7.585 -5.020 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.180 9.325 -5.139 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.800 9.217 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.841 7.550 -4.398 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.168 8.946 -8.566 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.992 10.009 -7.400 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.397 9.325 -7.008 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.376 10.843 -2.671 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.550 11.931 -2.162 1.00 0.00 C ATOM 1522 C ASP A 98 -6.515 11.924 -0.636 1.00 0.00 C ATOM 1523 O ASP A 98 -5.556 12.397 -0.027 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.075 13.277 -2.664 1.00 0.00 C ATOM 1525 CG ASP A 98 -7.334 13.274 -4.158 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.432 12.862 -4.916 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -8.440 13.685 -4.569 1.00 0.00 O ATOM 0 H ASP A 98 -8.243 11.147 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.535 11.783 -2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.998 13.523 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.353 14.058 -2.424 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.565 11.388 -0.024 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.651 11.324 1.430 1.00 0.00 C ATOM 1534 C ASN A 99 -6.762 10.216 1.986 1.00 0.00 C ATOM 1535 O ASN A 99 -6.175 10.358 3.058 1.00 0.00 O ATOM 1536 CB ASN A 99 -9.100 11.096 1.866 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.941 12.352 1.759 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.608 13.388 2.335 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -11.040 12.267 1.018 1.00 0.00 N ATOM 0 H ASN A 99 -8.368 10.992 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.301 12.276 1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.542 10.313 1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.115 10.739 2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.646 13.080 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.278 11.388 0.558 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.668 9.112 1.253 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.852 7.980 1.676 1.00 0.00 C ATOM 1548 C ILE A 100 -4.401 8.144 1.230 1.00 0.00 C ATOM 1549 O ILE A 100 -3.476 8.011 2.030 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.405 6.653 1.115 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.844 6.437 1.590 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.521 5.483 1.528 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.956 6.103 3.061 1.00 0.00 C ATOM 0 H ILE A 100 -7.147 8.977 0.363 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.889 7.953 2.765 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.403 6.710 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.423 7.337 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.292 5.631 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.929 4.557 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.513 5.635 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.488 5.418 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.005 5.964 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.405 5.186 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.539 6.918 3.652 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.212 8.424 -0.055 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.875 8.593 -0.613 1.00 0.00 C ATOM 1567 C LYS A 101 -2.101 9.699 0.100 1.00 0.00 C ATOM 1568 O LYS A 101 -0.891 9.590 0.296 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.964 8.906 -2.109 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.624 8.854 -2.822 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.622 9.726 -4.067 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.046 11.103 -3.782 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.113 12.114 -3.545 1.00 0.00 N ATOM 0 H LYS A 101 -4.968 8.539 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.336 7.657 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.645 8.197 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.397 9.898 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.837 9.184 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.397 7.824 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.039 9.242 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.640 9.827 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.395 11.051 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.427 11.419 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.805 12.777 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.296 12.638 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.984 11.635 -3.240 1.00 0.00 H new ATOM 1587 N MET A 102 -2.799 10.767 0.475 1.00 0.00 N ATOM 1588 CA MET A 102 -2.161 11.892 1.153 1.00 0.00 C ATOM 1589 C MET A 102 -2.026 11.648 2.652 1.00 0.00 C ATOM 1590 O MET A 102 -1.130 12.188 3.299 1.00 0.00 O ATOM 1591 CB MET A 102 -2.951 13.178 0.904 1.00 0.00 C ATOM 1592 CG MET A 102 -3.116 13.516 -0.568 1.00 0.00 C ATOM 1593 SD MET A 102 -4.233 14.904 -0.842 1.00 0.00 S ATOM 1594 CE MET A 102 -3.649 16.058 0.398 1.00 0.00 C ATOM 0 H MET A 102 -3.801 10.878 0.322 1.00 0.00 H new ATOM 0 HA MET A 102 -1.158 11.996 0.740 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.937 13.082 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.448 14.006 1.404 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.141 13.750 -0.994 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.493 12.641 -1.097 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.004 17.060 0.158 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.028 15.763 1.377 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.559 16.054 0.414 1.00 0.00 H new ATOM 1604 N THR A 103 -2.921 10.839 3.199 1.00 0.00 N ATOM 1605 CA THR A 103 -2.898 10.534 4.626 1.00 0.00 C ATOM 1606 C THR A 103 -1.940 9.388 4.930 1.00 0.00 C ATOM 1607 O THR A 103 -1.255 9.400 5.953 1.00 0.00 O ATOM 1608 CB THR A 103 -4.307 10.197 5.124 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.147 11.335 5.047 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.342 9.702 6.555 1.00 0.00 C ATOM 0 H THR A 103 -3.671 10.382 2.680 1.00 0.00 H new ATOM 0 HA THR A 103 -2.542 11.420 5.152 1.00 0.00 H new ATOM 0 HB THR A 103 -4.656 9.395 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.034 11.066 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.371 9.483 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.741 8.797 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.939 10.470 7.215 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.887 8.403 4.043 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.998 7.268 4.237 1.00 0.00 C ATOM 1620 C LEU A 104 0.450 7.737 4.259 1.00 0.00 C ATOM 1621 O LEU A 104 1.167 7.514 5.234 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.208 6.222 3.139 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.052 5.012 3.552 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.335 5.459 4.237 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.369 4.144 2.343 1.00 0.00 C ATOM 0 H LEU A 104 -2.444 8.367 3.190 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.231 6.804 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.684 6.704 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.233 5.869 2.803 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.474 4.419 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.919 4.584 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.089 6.037 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.917 6.077 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.969 3.290 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.925 4.729 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.440 3.791 1.895 1.00 0.00 H new ATOM 1637 N GLN A 105 0.867 8.409 3.189 1.00 0.00 N ATOM 1638 CA GLN A 105 2.227 8.931 3.097 1.00 0.00 C ATOM 1639 C GLN A 105 2.565 9.762 4.328 1.00 0.00 C ATOM 1640 O GLN A 105 3.724 9.855 4.730 1.00 0.00 O ATOM 1641 CB GLN A 105 2.392 9.776 1.832 1.00 0.00 C ATOM 1642 CG GLN A 105 1.369 10.892 1.706 1.00 0.00 C ATOM 1643 CD GLN A 105 1.365 11.527 0.331 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.211 10.703 -0.698 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 1.501 12.742 0.194 1.00 0.00 N flip ATOM 0 H GLN A 105 0.284 8.604 2.375 1.00 0.00 H new ATOM 0 HA GLN A 105 2.914 8.086 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.392 10.209 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.318 9.127 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.377 10.496 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.577 11.657 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.617 13.338 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.498 13.153 -0.739 1.00 0.00 H new ATOM 1654 N GLN A 106 1.538 10.354 4.933 1.00 0.00 N ATOM 1655 CA GLN A 106 1.724 11.163 6.131 1.00 0.00 C ATOM 1656 C GLN A 106 2.289 10.304 7.252 1.00 0.00 C ATOM 1657 O GLN A 106 3.099 10.760 8.059 1.00 0.00 O ATOM 1658 CB GLN A 106 0.402 11.803 6.560 1.00 0.00 C ATOM 1659 CG GLN A 106 0.398 13.318 6.448 1.00 0.00 C ATOM 1660 CD GLN A 106 -1.001 13.893 6.352 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -1.608 14.255 7.360 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -1.523 13.978 5.133 1.00 0.00 N ATOM 0 H GLN A 106 0.572 10.288 4.613 1.00 0.00 H new ATOM 0 HA GLN A 106 2.431 11.962 5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.404 11.399 5.947 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.189 11.522 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.903 13.744 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.970 13.615 5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.985 13.666 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.462 14.355 5.006 1.00 0.00 H new ATOM 1671 N ILE A 107 1.866 9.048 7.273 1.00 0.00 N ATOM 1672 CA ILE A 107 2.336 8.096 8.269 1.00 0.00 C ATOM 1673 C ILE A 107 3.692 7.540 7.848 1.00 0.00 C ATOM 1674 O ILE A 107 4.569 7.297 8.676 1.00 0.00 O ATOM 1675 CB ILE A 107 1.336 6.934 8.446 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.016 7.451 9.022 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.924 5.850 9.337 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.086 7.571 7.991 1.00 0.00 C ATOM 0 H ILE A 107 1.195 8.663 6.608 1.00 0.00 H new ATOM 0 HA ILE A 107 2.428 8.618 9.221 1.00 0.00 H new ATOM 0 HB ILE A 107 1.138 6.497 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.312 6.781 9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.185 8.427 9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.203 5.040 9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.837 5.463 8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.154 6.269 10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.992 7.943 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.778 8.264 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.282 6.593 7.553 1.00 0.00 H new ATOM 1690 N ILE A 108 3.846 7.359 6.542 1.00 0.00 N ATOM 1691 CA ILE A 108 5.083 6.847 5.963 1.00 0.00 C ATOM 1692 C ILE A 108 6.273 7.696 6.389 1.00 0.00 C ATOM 1693 O ILE A 108 7.225 7.204 6.994 1.00 0.00 O ATOM 1694 CB ILE A 108 5.006 6.855 4.424 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.735 6.162 3.948 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.228 6.198 3.812 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.644 4.711 4.351 1.00 0.00 C ATOM 0 H ILE A 108 3.119 7.562 5.856 1.00 0.00 H new ATOM 0 HA ILE A 108 5.213 5.826 6.323 1.00 0.00 H new ATOM 0 HB ILE A 108 4.981 7.894 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.871 6.695 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.680 6.232 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.146 6.218 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.124 6.738 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.294 5.164 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.713 4.287 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.487 4.163 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.666 4.633 5.438 1.00 0.00 H new ATOM 1709 N SER A 109 6.205 8.980 6.054 1.00 0.00 N ATOM 1710 CA SER A 109 7.271 9.925 6.383 1.00 0.00 C ATOM 1711 C SER A 109 7.678 9.833 7.851 1.00 0.00 C ATOM 1712 O SER A 109 8.809 10.157 8.211 1.00 0.00 O ATOM 1713 CB SER A 109 6.832 11.352 6.053 1.00 0.00 C ATOM 1714 OG SER A 109 7.143 11.685 4.711 1.00 0.00 O ATOM 0 H SER A 109 5.419 9.394 5.552 1.00 0.00 H new ATOM 0 HA SER A 109 8.140 9.662 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.759 11.452 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.324 12.052 6.728 1.00 0.00 H new ATOM 0 HG SER A 109 6.850 12.602 4.525 1.00 0.00 H new ATOM 1720 N ARG A 110 6.752 9.392 8.693 1.00 0.00 N ATOM 1721 CA ARG A 110 7.021 9.261 10.122 1.00 0.00 C ATOM 1722 C ARG A 110 8.200 8.325 10.372 1.00 0.00 C ATOM 1723 O ARG A 110 8.910 8.459 11.369 1.00 0.00 O ATOM 1724 CB ARG A 110 5.783 8.742 10.856 1.00 0.00 C ATOM 1725 CG ARG A 110 4.518 9.526 10.550 1.00 0.00 C ATOM 1726 CD ARG A 110 3.370 9.105 11.454 1.00 0.00 C ATOM 1727 NE ARG A 110 3.616 9.457 12.851 1.00 0.00 N ATOM 1728 CZ ARG A 110 3.451 10.681 13.347 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.041 11.672 12.565 1.00 0.00 N ATOM 1730 NH2 ARG A 110 3.696 10.915 14.629 1.00 0.00 N ATOM 0 H ARG A 110 5.810 9.119 8.413 1.00 0.00 H new ATOM 0 HA ARG A 110 7.274 10.249 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.625 7.697 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.968 8.773 11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.710 10.592 10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.237 9.373 9.508 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.449 9.581 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.220 8.028 11.372 1.00 0.00 H new ATOM 0 HE ARG A 110 3.933 8.722 13.483 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.851 11.498 11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.916 12.608 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.011 10.157 15.235 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.570 11.853 15.009 1.00 0.00 H new ATOM 1744 N TYR A 111 8.399 7.375 9.465 1.00 0.00 N ATOM 1745 CA TYR A 111 9.490 6.414 9.590 1.00 0.00 C ATOM 1746 C TYR A 111 10.707 6.865 8.788 1.00 0.00 C ATOM 1747 O TYR A 111 11.834 6.839 9.282 1.00 0.00 O ATOM 1748 CB TYR A 111 9.039 5.029 9.119 1.00 0.00 C ATOM 1749 CG TYR A 111 7.590 4.723 9.426 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.147 4.603 10.737 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.664 4.557 8.403 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.824 4.326 11.021 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.339 4.281 8.679 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.924 4.166 9.989 1.00 0.00 C ATOM 1755 OH TYR A 111 3.605 3.890 10.268 1.00 0.00 O ATOM 0 H TYR A 111 7.819 7.249 8.635 1.00 0.00 H new ATOM 0 HA TYR A 111 9.770 6.357 10.642 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.197 4.952 8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.668 4.273 9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.849 4.728 11.548 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.986 4.645 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.496 4.235 12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.631 4.156 7.873 1.00 0.00 H new ATOM 0 HH TYR A 111 3.317 4.419 11.041 1.00 0.00 H new ATOM 1765 N LYS A 112 10.472 7.277 7.547 1.00 0.00 N ATOM 1766 CA LYS A 112 11.549 7.734 6.676 1.00 0.00 C ATOM 1767 C LYS A 112 12.263 8.938 7.279 1.00 0.00 C ATOM 1768 O LYS A 112 13.470 8.902 7.517 1.00 0.00 O ATOM 1769 CB LYS A 112 11.001 8.092 5.293 1.00 0.00 C ATOM 1770 CG LYS A 112 9.991 7.089 4.758 1.00 0.00 C ATOM 1771 CD LYS A 112 10.117 6.920 3.253 1.00 0.00 C ATOM 1772 CE LYS A 112 9.870 8.229 2.522 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.440 8.643 2.592 1.00 0.00 N ATOM 0 H LYS A 112 9.545 7.304 7.121 1.00 0.00 H new ATOM 0 HA LYS A 112 12.268 6.921 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.533 9.075 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.832 8.168 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.139 6.126 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.982 7.420 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.113 6.549 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.404 6.170 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.496 9.010 2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.167 8.124 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.365 9.665 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.893 8.124 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.063 8.429 3.537 1.00 0.00 H new ATOM 1787 N ASP A 113 11.509 10.004 7.525 1.00 0.00 N ATOM 1788 CA ASP A 113 12.068 11.221 8.101 1.00 0.00 C ATOM 1789 C ASP A 113 12.699 10.941 9.462 1.00 0.00 C ATOM 1790 O ASP A 113 13.669 11.589 9.853 1.00 0.00 O ATOM 1791 CB ASP A 113 10.984 12.290 8.240 1.00 0.00 C ATOM 1792 CG ASP A 113 11.526 13.694 8.048 1.00 0.00 C ATOM 1793 OD1 ASP A 113 12.223 13.927 7.038 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.254 14.558 8.908 1.00 0.00 O ATOM 0 H ASP A 113 10.508 10.050 7.334 1.00 0.00 H new ATOM 0 HA ASP A 113 12.845 11.586 7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.198 12.104 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.526 12.212 9.226 1.00 0.00 H new ATOM 1799 N ALA A 114 12.142 9.969 10.177 1.00 0.00 N ATOM 1800 CA ALA A 114 12.649 9.602 11.493 1.00 0.00 C ATOM 1801 C ALA A 114 13.925 8.775 11.377 1.00 0.00 C ATOM 1802 O ALA A 114 14.824 8.882 12.212 1.00 0.00 O ATOM 1803 CB ALA A 114 11.591 8.836 12.271 1.00 0.00 C ATOM 0 H ALA A 114 11.339 9.422 9.867 1.00 0.00 H new ATOM 0 HA ALA A 114 12.888 10.519 12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.983 8.568 13.252 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.706 9.460 12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.324 7.930 11.727 1.00 0.00 H new ATOM 1809 N ASP A 115 13.998 7.951 10.337 1.00 0.00 N ATOM 1810 CA ASP A 115 15.164 7.104 10.112 1.00 0.00 C ATOM 1811 C ASP A 115 16.275 7.884 9.416 1.00 0.00 C ATOM 1812 O ASP A 115 17.408 7.897 9.943 1.00 0.00 O ATOM 1813 CB ASP A 115 14.780 5.884 9.275 1.00 0.00 C ATOM 1814 CG ASP A 115 15.701 4.704 9.516 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.928 4.865 9.352 1.00 0.00 O ATOM 1816 OD2 ASP A 115 15.194 3.618 9.870 1.00 0.00 O ATOM 0 H ASP A 115 13.263 7.852 9.636 1.00 0.00 H new ATOM 0 HA ASP A 115 15.532 6.769 11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.755 5.595 9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.804 6.150 8.218 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 3.839 -3.310 -18.173 1.00 0.00 N ATOM 1823 CA TYR B 90 2.549 -2.693 -18.579 1.00 0.00 C ATOM 1824 C TYR B 90 1.524 -2.766 -17.452 1.00 0.00 C ATOM 1825 O TYR B 90 0.822 -1.794 -17.174 1.00 0.00 O ATOM 1826 CB TYR B 90 2.027 -3.425 -19.816 1.00 0.00 C ATOM 1827 CG TYR B 90 2.455 -2.791 -21.121 1.00 0.00 C ATOM 1828 CD1 TYR B 90 3.787 -2.799 -21.516 1.00 0.00 C ATOM 1829 CD2 TYR B 90 1.526 -2.185 -21.958 1.00 0.00 C ATOM 1830 CE1 TYR B 90 4.180 -2.221 -22.707 1.00 0.00 C ATOM 1831 CE2 TYR B 90 1.912 -1.605 -23.151 1.00 0.00 C ATOM 1832 CZ TYR B 90 3.241 -1.626 -23.521 1.00 0.00 C ATOM 1833 OH TYR B 90 3.630 -1.049 -24.708 1.00 0.00 O ATOM 0 HA TYR B 90 2.712 -1.639 -18.806 1.00 0.00 H new ATOM 0 HB2 TYR B 90 2.377 -4.457 -19.791 1.00 0.00 H new ATOM 0 HB3 TYR B 90 0.938 -3.456 -19.777 1.00 0.00 H new ATOM 0 HD1 TYR B 90 4.527 -3.265 -20.882 1.00 0.00 H new ATOM 0 HD2 TYR B 90 0.485 -2.167 -21.671 1.00 0.00 H new ATOM 0 HE1 TYR B 90 5.220 -2.235 -22.999 1.00 0.00 H new ATOM 0 HE2 TYR B 90 1.178 -1.138 -23.790 1.00 0.00 H new ATOM 0 HH TYR B 90 2.846 -0.675 -25.162 1.00 0.00 H new ATOM 1843 N ASP B 91 1.442 -3.926 -16.807 1.00 0.00 N ATOM 1844 CA ASP B 91 0.502 -4.126 -15.710 1.00 0.00 C ATOM 1845 C ASP B 91 0.974 -3.407 -14.452 1.00 0.00 C ATOM 1846 O ASP B 91 0.206 -2.690 -13.809 1.00 0.00 O ATOM 1847 CB ASP B 91 0.331 -5.619 -15.424 1.00 0.00 C ATOM 1848 CG ASP B 91 -0.267 -6.368 -16.599 1.00 0.00 C ATOM 1849 OD1 ASP B 91 -1.108 -5.780 -17.312 1.00 0.00 O ATOM 1850 OD2 ASP B 91 0.105 -7.541 -16.806 1.00 0.00 O ATOM 0 H ASP B 91 2.015 -4.741 -17.025 1.00 0.00 H new ATOM 0 HA ASP B 91 -0.459 -3.707 -16.007 1.00 0.00 H new ATOM 0 HB2 ASP B 91 1.300 -6.052 -15.176 1.00 0.00 H new ATOM 0 HB3 ASP B 91 -0.309 -5.748 -14.551 1.00 0.00 H new ATOM 1855 N SER B 92 2.242 -3.601 -14.104 1.00 0.00 N ATOM 1856 CA SER B 92 2.816 -2.970 -12.922 1.00 0.00 C ATOM 1857 C SER B 92 3.310 -1.563 -13.241 1.00 0.00 C ATOM 1858 O SER B 92 3.291 -0.679 -12.385 1.00 0.00 O ATOM 1859 CB SER B 92 3.969 -3.816 -12.376 1.00 0.00 C ATOM 1860 OG SER B 92 4.084 -3.675 -10.970 1.00 0.00 O ATOM 0 H SER B 92 2.892 -4.191 -14.624 1.00 0.00 H new ATOM 0 HA SER B 92 2.036 -2.898 -12.164 1.00 0.00 H new ATOM 0 HB2 SER B 92 3.806 -4.864 -12.627 1.00 0.00 H new ATOM 0 HB3 SER B 92 4.902 -3.515 -12.852 1.00 0.00 H new ATOM 0 HG SER B 92 4.826 -4.226 -10.646 1.00 0.00 H new ATOM 1866 N GLU B 93 3.752 -1.362 -14.478 1.00 0.00 N ATOM 1867 CA GLU B 93 4.250 -0.062 -14.910 1.00 0.00 C ATOM 1868 C GLU B 93 3.172 1.008 -14.776 1.00 0.00 C ATOM 1869 O GLU B 93 3.468 2.175 -14.522 1.00 0.00 O ATOM 1870 CB GLU B 93 4.735 -0.134 -16.359 1.00 0.00 C ATOM 1871 CG GLU B 93 5.912 -1.074 -16.561 1.00 0.00 C ATOM 1872 CD GLU B 93 6.323 -1.190 -18.016 1.00 0.00 C ATOM 1873 OE1 GLU B 93 5.478 -0.916 -18.894 1.00 0.00 O ATOM 1874 OE2 GLU B 93 7.488 -1.555 -18.277 1.00 0.00 O ATOM 0 H GLU B 93 3.775 -2.083 -15.199 1.00 0.00 H new ATOM 0 HA GLU B 93 5.087 0.209 -14.266 1.00 0.00 H new ATOM 0 HB2 GLU B 93 3.910 -0.457 -16.994 1.00 0.00 H new ATOM 0 HB3 GLU B 93 5.018 0.866 -16.689 1.00 0.00 H new ATOM 0 HG2 GLU B 93 6.760 -0.720 -15.975 1.00 0.00 H new ATOM 0 HG3 GLU B 93 5.653 -2.062 -16.181 1.00 0.00 H new ATOM 1881 N GLU B 94 1.918 0.601 -14.946 1.00 0.00 N ATOM 1882 CA GLU B 94 0.794 1.524 -14.844 1.00 0.00 C ATOM 1883 C GLU B 94 0.680 2.088 -13.431 1.00 0.00 C ATOM 1884 O GLU B 94 0.247 3.225 -13.238 1.00 0.00 O ATOM 1885 CB GLU B 94 -0.508 0.821 -15.232 1.00 0.00 C ATOM 1886 CG GLU B 94 -1.476 1.710 -15.995 1.00 0.00 C ATOM 1887 CD GLU B 94 -2.883 1.144 -16.031 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -3.566 1.187 -14.988 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -3.299 0.660 -17.105 1.00 0.00 O ATOM 0 H GLU B 94 1.655 -0.362 -15.155 1.00 0.00 H new ATOM 0 HA GLU B 94 0.971 2.350 -15.533 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -0.272 -0.052 -15.841 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -0.997 0.457 -14.329 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -1.497 2.697 -15.534 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -1.115 1.842 -17.015 1.00 0.00 H new ATOM 1896 N PHE B 95 1.071 1.286 -12.446 1.00 0.00 N ATOM 1897 CA PHE B 95 1.013 1.705 -11.051 1.00 0.00 C ATOM 1898 C PHE B 95 2.297 2.425 -10.647 1.00 0.00 C ATOM 1899 O PHE B 95 3.398 1.975 -10.961 1.00 0.00 O ATOM 1900 CB PHE B 95 0.781 0.494 -10.144 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.421 0.633 -9.253 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.529 1.699 -8.374 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.442 -0.304 -9.294 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.633 1.828 -7.553 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.549 -0.180 -8.476 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.644 0.888 -7.605 1.00 0.00 C ATOM 0 H PHE B 95 1.431 0.342 -12.588 1.00 0.00 H new ATOM 0 HA PHE B 95 0.180 2.398 -10.937 1.00 0.00 H new ATOM 0 HB2 PHE B 95 0.664 -0.396 -10.763 1.00 0.00 H new ATOM 0 HB3 PHE B 95 1.665 0.338 -9.526 1.00 0.00 H new ATOM 0 HD1 PHE B 95 0.258 2.437 -8.330 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -1.371 -1.141 -9.973 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.705 2.663 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.338 -0.916 -8.518 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.508 0.988 -6.965 1.00 0.00 H new ATOM 1916 N GLU B 96 2.146 3.546 -9.947 1.00 0.00 N ATOM 1917 CA GLU B 96 3.293 4.328 -9.500 1.00 0.00 C ATOM 1918 C GLU B 96 3.396 4.323 -7.978 1.00 0.00 C ATOM 1919 O GLU B 96 2.393 4.176 -7.279 1.00 0.00 O ATOM 1920 CB GLU B 96 3.186 5.767 -10.010 1.00 0.00 C ATOM 1921 CG GLU B 96 3.665 5.941 -11.441 1.00 0.00 C ATOM 1922 CD GLU B 96 5.128 5.581 -11.613 1.00 0.00 C ATOM 1923 OE1 GLU B 96 5.989 6.388 -11.207 1.00 0.00 O ATOM 1924 OE2 GLU B 96 5.411 4.492 -12.155 1.00 0.00 O ATOM 0 H GLU B 96 1.241 3.932 -9.678 1.00 0.00 H new ATOM 0 HA GLU B 96 4.194 3.870 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU B 96 2.148 6.092 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU B 96 3.768 6.419 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU B 96 3.061 5.318 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU B 96 3.510 6.975 -11.749 1.00 0.00 H new ATOM 1931 N ASP B 97 4.614 4.482 -7.471 1.00 0.00 N ATOM 1932 CA ASP B 97 4.849 4.496 -6.032 1.00 0.00 C ATOM 1933 C ASP B 97 4.651 5.895 -5.460 1.00 0.00 C ATOM 1934 O ASP B 97 4.661 6.884 -6.193 1.00 0.00 O ATOM 1935 CB ASP B 97 6.262 4.000 -5.720 1.00 0.00 C ATOM 1936 CG ASP B 97 6.465 2.549 -6.111 1.00 0.00 C ATOM 1937 OD1 ASP B 97 5.712 2.056 -6.978 1.00 0.00 O ATOM 1938 OD2 ASP B 97 7.376 1.905 -5.551 1.00 0.00 O ATOM 0 H ASP B 97 5.454 4.603 -8.036 1.00 0.00 H new ATOM 0 HA ASP B 97 4.125 3.828 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP B 97 6.987 4.620 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.458 4.117 -4.654 1.00 0.00 H new ATOM 1943 N VAL B 98 4.470 5.972 -4.144 1.00 0.00 N ATOM 1944 CA VAL B 98 4.271 7.250 -3.474 1.00 0.00 C ATOM 1945 C VAL B 98 5.094 7.334 -2.193 1.00 0.00 C ATOM 1946 O VAL B 98 4.773 6.691 -1.194 1.00 0.00 O ATOM 1947 CB VAL B 98 2.787 7.482 -3.128 1.00 0.00 C ATOM 1948 CG1 VAL B 98 2.555 8.923 -2.702 1.00 0.00 C ATOM 1949 CG2 VAL B 98 1.898 7.116 -4.307 1.00 0.00 C ATOM 0 H VAL B 98 4.457 5.163 -3.522 1.00 0.00 H new ATOM 0 HA VAL B 98 4.600 8.022 -4.169 1.00 0.00 H new ATOM 0 HB VAL B 98 2.524 6.835 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.501 9.066 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL B 98 3.161 9.145 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.836 9.592 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL B 98 0.854 7.287 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.160 7.733 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.041 6.065 -4.558 1.00 0.00 H new ATOM 1959 N THR B 99 6.156 8.131 -2.229 1.00 0.00 N ATOM 1960 CA THR B 99 7.025 8.298 -1.069 1.00 0.00 C ATOM 1961 C THR B 99 7.596 9.712 -1.017 1.00 0.00 C ATOM 1962 O THR B 99 8.067 10.239 -2.025 1.00 0.00 O ATOM 1963 CB THR B 99 8.162 7.275 -1.105 1.00 0.00 C ATOM 1964 OG1 THR B 99 8.471 6.916 -2.440 1.00 0.00 O ATOM 1965 CG2 THR B 99 7.846 6.003 -0.349 1.00 0.00 C ATOM 0 H THR B 99 6.436 8.671 -3.048 1.00 0.00 H new ATOM 0 HA THR B 99 6.428 8.134 -0.172 1.00 0.00 H new ATOM 0 HB THR B 99 9.007 7.765 -0.622 1.00 0.00 H new ATOM 0 HG1 THR B 99 9.201 6.263 -2.442 1.00 0.00 H new ATOM 0 HG21 THR B 99 8.694 5.321 -0.414 1.00 0.00 H new ATOM 0 HG22 THR B 99 7.651 6.240 0.697 1.00 0.00 H new ATOM 0 HG23 THR B 99 6.965 5.530 -0.784 1.00 0.00 H new ATOM 1973 N ASP B 100 7.553 10.319 0.165 1.00 0.00 N ATOM 1974 CA ASP B 100 8.065 11.672 0.353 1.00 0.00 C ATOM 1975 C ASP B 100 7.253 12.680 -0.454 1.00 0.00 C ATOM 1976 O ASP B 100 6.402 13.384 0.090 1.00 0.00 O ATOM 1977 CB ASP B 100 9.541 11.744 -0.046 1.00 0.00 C ATOM 1978 CG ASP B 100 10.470 11.604 1.144 1.00 0.00 C ATOM 1979 OD1 ASP B 100 10.033 11.054 2.176 1.00 0.00 O ATOM 1980 OD2 ASP B 100 11.635 12.044 1.043 1.00 0.00 O ATOM 0 H ASP B 100 7.168 9.894 1.009 1.00 0.00 H new ATOM 0 HA ASP B 100 7.972 11.925 1.409 1.00 0.00 H new ATOM 0 HB2 ASP B 100 9.758 10.956 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP B 100 9.734 12.694 -0.544 1.00 0.00 H new ATOM 1985 N GLY B 101 7.521 12.746 -1.755 1.00 0.00 N ATOM 1986 CA GLY B 101 6.805 13.672 -2.612 1.00 0.00 C ATOM 1987 C GLY B 101 7.054 13.409 -4.085 1.00 0.00 C ATOM 1988 O GLY B 101 7.306 12.273 -4.485 1.00 0.00 O ATOM 0 H GLY B 101 8.220 12.175 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY B 101 5.737 13.599 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY B 101 7.106 14.692 -2.372 1.00 0.00 H new ATOM 1992 N ASN B 102 6.984 14.463 -4.891 1.00 0.00 N ATOM 1993 CA ASN B 102 7.203 14.342 -6.328 1.00 0.00 C ATOM 1994 C ASN B 102 6.183 13.397 -6.957 1.00 0.00 C ATOM 1995 O ASN B 102 6.437 12.201 -7.101 1.00 0.00 O ATOM 1996 CB ASN B 102 8.621 13.840 -6.609 1.00 0.00 C ATOM 1997 CG ASN B 102 9.230 14.485 -7.837 1.00 0.00 C ATOM 1998 OD1 ASN B 102 8.520 14.887 -8.759 1.00 0.00 O ATOM 1999 ND2 ASN B 102 10.554 14.589 -7.856 1.00 0.00 N ATOM 0 H ASN B 102 6.777 15.410 -4.574 1.00 0.00 H new ATOM 0 HA ASN B 102 7.079 15.329 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN B 102 9.253 14.043 -5.744 1.00 0.00 H new ATOM 0 HB3 ASN B 102 8.601 12.758 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN B 102 11.021 15.015 -8.656 1.00 0.00 H new ATOM 0 HD22 ASN B 102 11.104 14.242 -7.070 1.00 0.00 H new ATOM 2006 N GLU B 103 5.030 13.942 -7.327 1.00 0.00 N ATOM 2007 CA GLU B 103 3.970 13.148 -7.940 1.00 0.00 C ATOM 2008 C GLU B 103 3.538 13.753 -9.271 1.00 0.00 C ATOM 2009 O GLU B 103 2.574 14.515 -9.334 1.00 0.00 O ATOM 2010 CB GLU B 103 2.769 13.049 -6.998 1.00 0.00 C ATOM 2011 CG GLU B 103 2.007 11.739 -7.120 1.00 0.00 C ATOM 2012 CD GLU B 103 2.553 10.660 -6.206 1.00 0.00 C ATOM 2013 OE1 GLU B 103 2.446 10.817 -4.971 1.00 0.00 O ATOM 2014 OE2 GLU B 103 3.087 9.657 -6.724 1.00 0.00 O ATOM 0 H GLU B 103 4.805 14.930 -7.214 1.00 0.00 H new ATOM 0 HA GLU B 103 4.361 12.148 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU B 103 3.113 13.165 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU B 103 2.089 13.876 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU B 103 0.956 11.911 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU B 103 2.051 11.392 -8.152 1.00 0.00 H new ATOM 2021 N VAL B 104 4.258 13.409 -10.334 1.00 0.00 N ATOM 2022 CA VAL B 104 3.949 13.918 -11.664 1.00 0.00 C ATOM 2023 C VAL B 104 2.990 12.988 -12.399 1.00 0.00 C ATOM 2024 O VAL B 104 3.450 11.937 -12.895 1.00 0.00 O ATOM 2025 CB VAL B 104 5.224 14.094 -12.510 1.00 0.00 C ATOM 2026 CG1 VAL B 104 4.907 14.808 -13.814 1.00 0.00 C ATOM 2027 CG2 VAL B 104 6.286 14.848 -11.724 1.00 0.00 C ATOM 0 H VAL B 104 5.060 12.779 -10.299 1.00 0.00 H new ATOM 0 HA VAL B 104 3.476 14.891 -11.527 1.00 0.00 H new ATOM 0 HB VAL B 104 5.617 13.106 -12.752 1.00 0.00 H new ATOM 0 HG11 VAL B 104 5.821 14.923 -14.397 1.00 0.00 H new ATOM 0 HG12 VAL B 104 4.184 14.223 -14.383 1.00 0.00 H new ATOM 0 HG13 VAL B 104 4.489 15.791 -13.598 1.00 0.00 H new ATOM 0 HG21 VAL B 104 7.180 14.963 -12.337 1.00 0.00 H new ATOM 0 HG22 VAL B 104 5.905 15.832 -11.449 1.00 0.00 H new ATOM 0 HG23 VAL B 104 6.535 14.290 -10.821 1.00 0.00 H new TER 2037 VAL B 104