USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1097 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 127 GLN : amide:sc= -0.138 K(o=-3.4,f=-4.1) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -3.22! K(o=-3.4!,f=-5.8) USER MOD Set 2.1: A 103 ASN :FLIP amide:sc= 0.671 F(o=-0.032,f=1.4) USER MOD Set 2.2: A 110 THR OG1 : rot 112:sc= 0.747 USER MOD Set 3.1: A 19 ASN : amide:sc= -2.08 K(o=-27,f=-34!) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -16.8! C(o=-27!,f=-31!) USER MOD Set 3.3: A 119 MET CE :methyl -172:sc= -8.49! (180deg=-1.82!) USER MOD Set 4.1: A 29 HIS :FLIP no HE2:sc= 0.948 F(o=-2.9,f=2.3) USER MOD Set 4.2: A 102 TYR OH : rot 99:sc= 1.36 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -29:sc= 0.209 USER MOD Single : A 5 SER OG : rot 5:sc= 0.144 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -61:sc= 1.09 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.915 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0856) USER MOD Single : A 24 HIS : no HD1:sc= -3.65! C(o=-3.7!,f=-3.4!) USER MOD Single : A 25 ASN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 150:sc=-0.00457 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.4) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0835 F(o=-1.7,f=-0.083) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.978 K(o=0.98,f=-0.69) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 100:sc= -0.26 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.24) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0412 K(o=-0.041,f=-0.66) USER MOD Single : A 71 TYR OH : rot 131:sc= 0.412 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 160:sc= -1.65 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -161:sc= -1.07 (180deg=-2.67!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 40:sc= 0.652 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.079 F(o=-0.58,f=-0.079) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -174:sc=-0.00594 (180deg=-0.0412) USER MOD Single : A 118 SER OG : rot 76:sc= 1.18 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 33:sc= 0.588 USER MOD Single : A 132 GLN : amide:sc= 0.339 X(o=0.34,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.730 -23.064 14.871 1.00 0.00 N ATOM 2 CA GLY A 1 26.077 -21.665 15.051 1.00 0.00 C ATOM 3 C GLY A 1 25.204 -20.766 14.173 1.00 0.00 C ATOM 4 O GLY A 1 24.387 -21.256 13.396 1.00 0.00 O ATOM 0 H1 GLY A 1 25.375 -23.452 15.768 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.993 -23.148 14.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.573 -23.595 14.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.953 -21.388 16.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.127 -21.512 14.803 1.00 0.00 H new ATOM 8 N SER A 2 25.407 -19.465 14.326 1.00 0.00 N ATOM 9 CA SER A 2 24.649 -18.493 13.558 1.00 0.00 C ATOM 10 C SER A 2 25.553 -17.328 13.150 1.00 0.00 C ATOM 11 O SER A 2 26.108 -16.640 14.006 1.00 0.00 O ATOM 12 CB SER A 2 23.446 -17.980 14.352 1.00 0.00 C ATOM 13 OG SER A 2 22.263 -17.935 13.559 1.00 0.00 O ATOM 0 H SER A 2 26.086 -19.062 14.971 1.00 0.00 H new ATOM 0 HA SER A 2 24.274 -18.984 12.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.280 -18.625 15.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.663 -16.983 14.736 1.00 0.00 H new ATOM 0 HG SER A 2 21.517 -17.604 14.102 1.00 0.00 H new ATOM 19 N SER A 3 25.672 -17.142 11.844 1.00 0.00 N ATOM 20 CA SER A 3 26.499 -16.071 11.313 1.00 0.00 C ATOM 21 C SER A 3 26.132 -15.802 9.853 1.00 0.00 C ATOM 22 O SER A 3 25.504 -16.636 9.203 1.00 0.00 O ATOM 23 CB SER A 3 27.986 -16.412 11.433 1.00 0.00 C ATOM 24 OG SER A 3 28.319 -16.897 12.731 1.00 0.00 O ATOM 0 H SER A 3 25.210 -17.714 11.138 1.00 0.00 H new ATOM 0 HA SER A 3 26.312 -15.171 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.247 -17.163 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.580 -15.525 11.214 1.00 0.00 H new ATOM 0 HG SER A 3 27.707 -16.510 13.392 1.00 0.00 H new ATOM 30 N GLY A 4 26.540 -14.634 9.379 1.00 0.00 N ATOM 31 CA GLY A 4 26.262 -14.244 8.007 1.00 0.00 C ATOM 32 C GLY A 4 27.076 -13.010 7.612 1.00 0.00 C ATOM 33 O GLY A 4 27.849 -12.489 8.414 1.00 0.00 O ATOM 0 H GLY A 4 27.061 -13.945 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.498 -15.070 7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.198 -14.034 7.893 1.00 0.00 H new ATOM 37 N SER A 5 26.875 -12.579 6.375 1.00 0.00 N ATOM 38 CA SER A 5 27.581 -11.417 5.864 1.00 0.00 C ATOM 39 C SER A 5 26.708 -10.680 4.847 1.00 0.00 C ATOM 40 O SER A 5 25.657 -11.180 4.448 1.00 0.00 O ATOM 41 CB SER A 5 28.914 -11.817 5.228 1.00 0.00 C ATOM 42 OG SER A 5 29.871 -12.219 6.204 1.00 0.00 O ATOM 0 H SER A 5 26.233 -13.014 5.712 1.00 0.00 H new ATOM 0 HA SER A 5 27.794 -10.752 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.750 -12.633 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.310 -10.977 4.656 1.00 0.00 H new ATOM 0 HG SER A 5 29.450 -12.234 7.089 1.00 0.00 H new ATOM 48 N SER A 6 27.175 -9.504 4.455 1.00 0.00 N ATOM 49 CA SER A 6 26.450 -8.693 3.492 1.00 0.00 C ATOM 50 C SER A 6 26.537 -9.328 2.102 1.00 0.00 C ATOM 51 O SER A 6 27.304 -10.267 1.892 1.00 0.00 O ATOM 52 CB SER A 6 26.991 -7.262 3.457 1.00 0.00 C ATOM 53 OG SER A 6 28.415 -7.231 3.431 1.00 0.00 O ATOM 0 H SER A 6 28.047 -9.093 4.787 1.00 0.00 H new ATOM 0 HA SER A 6 25.405 -8.649 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.601 -6.748 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.632 -6.717 4.330 1.00 0.00 H new ATOM 0 HG SER A 6 28.722 -6.300 3.407 1.00 0.00 H new ATOM 59 N GLY A 7 25.742 -8.789 1.190 1.00 0.00 N ATOM 60 CA GLY A 7 25.720 -9.291 -0.174 1.00 0.00 C ATOM 61 C GLY A 7 25.119 -8.258 -1.129 1.00 0.00 C ATOM 62 O GLY A 7 23.906 -8.058 -1.149 1.00 0.00 O ATOM 0 H GLY A 7 25.108 -8.010 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.733 -9.538 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.139 -10.212 -0.217 1.00 0.00 H new ATOM 66 N PRO A 8 26.020 -7.613 -1.918 1.00 0.00 N ATOM 67 CA PRO A 8 25.591 -6.606 -2.874 1.00 0.00 C ATOM 68 C PRO A 8 24.932 -7.252 -4.094 1.00 0.00 C ATOM 69 O PRO A 8 25.459 -8.214 -4.652 1.00 0.00 O ATOM 70 CB PRO A 8 26.851 -5.831 -3.220 1.00 0.00 C ATOM 71 CG PRO A 8 28.014 -6.720 -2.809 1.00 0.00 C ATOM 72 CD PRO A 8 27.464 -7.825 -1.923 1.00 0.00 C ATOM 0 HA PRO A 8 24.828 -5.941 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 8 26.890 -5.605 -4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 8 26.881 -4.879 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 28.501 -7.142 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 8 28.767 -6.141 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 8 27.718 -8.810 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 8 27.876 -7.767 -0.916 1.00 0.00 H new ATOM 80 N ARG A 9 23.789 -6.699 -4.472 1.00 0.00 N ATOM 81 CA ARG A 9 23.053 -7.210 -5.616 1.00 0.00 C ATOM 82 C ARG A 9 22.422 -6.056 -6.399 1.00 0.00 C ATOM 83 O ARG A 9 21.966 -5.078 -5.810 1.00 0.00 O ATOM 84 CB ARG A 9 21.954 -8.179 -5.176 1.00 0.00 C ATOM 85 CG ARG A 9 22.554 -9.485 -4.650 1.00 0.00 C ATOM 86 CD ARG A 9 21.504 -10.597 -4.620 1.00 0.00 C ATOM 87 NE ARG A 9 21.234 -11.001 -3.222 1.00 0.00 N ATOM 88 CZ ARG A 9 22.121 -11.624 -2.435 1.00 0.00 C ATOM 89 NH1 ARG A 9 23.341 -11.919 -2.904 1.00 0.00 N ATOM 90 NH2 ARG A 9 21.789 -11.952 -1.179 1.00 0.00 N ATOM 0 H ARG A 9 23.354 -5.902 -4.006 1.00 0.00 H new ATOM 0 HA ARG A 9 23.758 -7.744 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 9 21.345 -7.716 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.293 -8.391 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.390 -9.786 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.952 -9.329 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.584 -10.252 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.854 -11.455 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 9 20.314 -10.792 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.594 -11.669 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.017 -12.393 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.860 -11.727 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.465 -12.426 -0.580 1.00 0.00 H new ATOM 104 N LEU A 10 22.416 -6.210 -7.715 1.00 0.00 N ATOM 105 CA LEU A 10 21.849 -5.194 -8.585 1.00 0.00 C ATOM 106 C LEU A 10 21.145 -5.872 -9.762 1.00 0.00 C ATOM 107 O LEU A 10 21.670 -6.822 -10.341 1.00 0.00 O ATOM 108 CB LEU A 10 22.922 -4.189 -9.006 1.00 0.00 C ATOM 109 CG LEU A 10 23.622 -3.439 -7.870 1.00 0.00 C ATOM 110 CD1 LEU A 10 24.924 -2.800 -8.356 1.00 0.00 C ATOM 111 CD2 LEU A 10 22.683 -2.413 -7.231 1.00 0.00 C ATOM 0 H LEU A 10 22.795 -7.023 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 10 21.095 -4.615 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 10 23.679 -4.717 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.464 -3.456 -9.671 1.00 0.00 H new ATOM 0 HG LEU A 10 23.887 -4.160 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 10 25.401 -2.273 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 10 25.594 -3.576 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 10 24.706 -2.095 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.204 -1.894 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 10 22.367 -1.691 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 10 21.808 -2.923 -6.827 1.00 0.00 H new ATOM 123 N TYR A 11 19.966 -5.357 -10.082 1.00 0.00 N ATOM 124 CA TYR A 11 19.185 -5.900 -11.180 1.00 0.00 C ATOM 125 C TYR A 11 18.386 -4.800 -11.882 1.00 0.00 C ATOM 126 O TYR A 11 18.402 -3.647 -11.453 1.00 0.00 O ATOM 127 CB TYR A 11 18.211 -6.898 -10.551 1.00 0.00 C ATOM 128 CG TYR A 11 18.570 -8.363 -10.808 1.00 0.00 C ATOM 129 CD1 TYR A 11 18.125 -8.992 -11.953 1.00 0.00 C ATOM 130 CD2 TYR A 11 19.338 -9.057 -9.895 1.00 0.00 C ATOM 131 CE1 TYR A 11 18.462 -10.370 -12.196 1.00 0.00 C ATOM 132 CE2 TYR A 11 19.675 -10.436 -10.137 1.00 0.00 C ATOM 133 CZ TYR A 11 19.220 -11.024 -11.275 1.00 0.00 C ATOM 134 OH TYR A 11 19.538 -12.327 -11.504 1.00 0.00 O ATOM 0 H TYR A 11 19.533 -4.569 -9.600 1.00 0.00 H new ATOM 0 HA TYR A 11 19.836 -6.362 -11.922 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.175 -6.727 -9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.210 -6.706 -10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.523 -8.450 -12.667 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.686 -8.566 -8.999 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.121 -10.873 -13.089 1.00 0.00 H new ATOM 0 HE2 TYR A 11 20.275 -10.990 -9.431 1.00 0.00 H new ATOM 0 HH TYR A 11 20.084 -12.665 -10.764 1.00 0.00 H new ATOM 144 N LYS A 12 17.708 -5.195 -12.948 1.00 0.00 N ATOM 145 CA LYS A 12 16.904 -4.257 -13.714 1.00 0.00 C ATOM 146 C LYS A 12 15.967 -5.033 -14.642 1.00 0.00 C ATOM 147 O LYS A 12 16.365 -6.034 -15.235 1.00 0.00 O ATOM 148 CB LYS A 12 17.801 -3.254 -14.443 1.00 0.00 C ATOM 149 CG LYS A 12 16.981 -2.086 -14.996 1.00 0.00 C ATOM 150 CD LYS A 12 17.420 -0.762 -14.366 1.00 0.00 C ATOM 151 CE LYS A 12 17.213 0.402 -15.337 1.00 0.00 C ATOM 152 NZ LYS A 12 17.393 1.695 -14.642 1.00 0.00 N ATOM 0 H LYS A 12 17.698 -6.152 -13.300 1.00 0.00 H new ATOM 0 HA LYS A 12 16.275 -3.664 -13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.562 -2.877 -13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.324 -3.754 -15.258 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.099 -2.035 -16.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.922 -2.254 -14.798 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.852 -0.584 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.471 -0.821 -14.082 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.920 0.325 -16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.213 0.350 -15.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.249 2.474 -15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.701 1.773 -13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.356 1.748 -14.252 1.00 0.00 H new ATOM 166 N GLU A 13 14.741 -4.541 -14.738 1.00 0.00 N ATOM 167 CA GLU A 13 13.744 -5.176 -15.584 1.00 0.00 C ATOM 168 C GLU A 13 12.815 -4.123 -16.191 1.00 0.00 C ATOM 169 O GLU A 13 12.617 -3.056 -15.612 1.00 0.00 O ATOM 170 CB GLU A 13 12.949 -6.223 -14.802 1.00 0.00 C ATOM 171 CG GLU A 13 13.519 -7.625 -15.028 1.00 0.00 C ATOM 172 CD GLU A 13 12.666 -8.683 -14.324 1.00 0.00 C ATOM 173 OE1 GLU A 13 12.399 -8.488 -13.119 1.00 0.00 O ATOM 174 OE2 GLU A 13 12.301 -9.664 -15.008 1.00 0.00 O ATOM 0 H GLU A 13 14.415 -3.710 -14.244 1.00 0.00 H new ATOM 0 HA GLU A 13 14.258 -5.690 -16.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.973 -5.984 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.904 -6.197 -15.111 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.560 -7.837 -16.096 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.542 -7.670 -14.655 1.00 0.00 H new ATOM 181 N PRO A 14 12.256 -4.468 -17.382 1.00 0.00 N ATOM 182 CA PRO A 14 11.353 -3.565 -18.074 1.00 0.00 C ATOM 183 C PRO A 14 9.980 -3.537 -17.399 1.00 0.00 C ATOM 184 O PRO A 14 9.845 -3.937 -16.243 1.00 0.00 O ATOM 185 CB PRO A 14 11.301 -4.080 -19.504 1.00 0.00 C ATOM 186 CG PRO A 14 11.804 -5.513 -19.449 1.00 0.00 C ATOM 187 CD PRO A 14 12.468 -5.722 -18.098 1.00 0.00 C ATOM 0 HA PRO A 14 11.693 -2.530 -18.049 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.286 -4.037 -19.898 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.923 -3.472 -20.161 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.979 -6.213 -19.581 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.513 -5.700 -20.256 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.024 -6.562 -17.564 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.530 -5.940 -18.209 1.00 0.00 H new ATOM 195 N SER A 15 8.997 -3.061 -18.148 1.00 0.00 N ATOM 196 CA SER A 15 7.640 -2.976 -17.636 1.00 0.00 C ATOM 197 C SER A 15 7.541 -1.855 -16.599 1.00 0.00 C ATOM 198 O SER A 15 7.771 -2.080 -15.412 1.00 0.00 O ATOM 199 CB SER A 15 7.198 -4.306 -17.022 1.00 0.00 C ATOM 200 OG SER A 15 6.630 -4.134 -15.727 1.00 0.00 O ATOM 0 H SER A 15 9.113 -2.730 -19.106 1.00 0.00 H new ATOM 0 HA SER A 15 6.974 -2.752 -18.469 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.469 -4.783 -17.677 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.054 -4.977 -16.956 1.00 0.00 H new ATOM 0 HG SER A 15 7.299 -3.746 -15.125 1.00 0.00 H new ATOM 206 N ALA A 16 7.198 -0.671 -17.086 1.00 0.00 N ATOM 207 CA ALA A 16 7.066 0.486 -16.216 1.00 0.00 C ATOM 208 C ALA A 16 6.084 1.479 -16.842 1.00 0.00 C ATOM 209 O ALA A 16 6.432 2.194 -17.780 1.00 0.00 O ATOM 210 CB ALA A 16 8.445 1.103 -15.975 1.00 0.00 C ATOM 0 H ALA A 16 7.008 -0.488 -18.071 1.00 0.00 H new ATOM 0 HA ALA A 16 6.666 0.193 -15.245 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.346 1.971 -15.323 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.096 0.367 -15.503 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.877 1.412 -16.927 1.00 0.00 H new ATOM 216 N LYS A 17 4.877 1.491 -16.296 1.00 0.00 N ATOM 217 CA LYS A 17 3.842 2.385 -16.789 1.00 0.00 C ATOM 218 C LYS A 17 3.027 2.915 -15.607 1.00 0.00 C ATOM 219 O LYS A 17 1.799 2.939 -15.657 1.00 0.00 O ATOM 220 CB LYS A 17 2.996 1.687 -17.856 1.00 0.00 C ATOM 221 CG LYS A 17 3.426 2.112 -19.261 1.00 0.00 C ATOM 222 CD LYS A 17 2.731 3.410 -19.679 1.00 0.00 C ATOM 223 CE LYS A 17 3.568 4.173 -20.708 1.00 0.00 C ATOM 224 NZ LYS A 17 2.712 5.092 -21.492 1.00 0.00 N ATOM 0 H LYS A 17 4.592 0.897 -15.518 1.00 0.00 H new ATOM 0 HA LYS A 17 4.287 3.249 -17.283 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.094 0.606 -17.753 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.944 1.928 -17.706 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.507 2.249 -19.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.187 1.322 -19.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.751 3.183 -20.098 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.566 4.037 -18.803 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.351 4.738 -20.202 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.064 3.469 -21.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.295 5.602 -22.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.980 4.545 -21.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.258 5.775 -20.852 1.00 0.00 H new ATOM 238 N SER A 18 3.745 3.327 -14.573 1.00 0.00 N ATOM 239 CA SER A 18 3.104 3.856 -13.381 1.00 0.00 C ATOM 240 C SER A 18 2.259 2.768 -12.714 1.00 0.00 C ATOM 241 O SER A 18 1.723 1.892 -13.391 1.00 0.00 O ATOM 242 CB SER A 18 2.236 5.071 -13.715 1.00 0.00 C ATOM 243 OG SER A 18 1.396 5.442 -12.626 1.00 0.00 O ATOM 0 H SER A 18 4.764 3.305 -14.536 1.00 0.00 H new ATOM 0 HA SER A 18 3.882 4.178 -12.689 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.876 5.912 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.622 4.849 -14.588 1.00 0.00 H new ATOM 0 HG SER A 18 0.859 6.222 -12.878 1.00 0.00 H new ATOM 249 N ASN A 19 2.168 2.859 -11.396 1.00 0.00 N ATOM 250 CA ASN A 19 1.398 1.893 -10.631 1.00 0.00 C ATOM 251 C ASN A 19 0.458 2.636 -9.679 1.00 0.00 C ATOM 252 O ASN A 19 0.456 2.378 -8.476 1.00 0.00 O ATOM 253 CB ASN A 19 2.313 1.000 -9.791 1.00 0.00 C ATOM 254 CG ASN A 19 3.114 1.829 -8.784 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.893 2.699 -9.138 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.881 1.510 -7.514 1.00 0.00 N ATOM 0 H ASN A 19 2.615 3.587 -10.838 1.00 0.00 H new ATOM 0 HA ASN A 19 0.838 1.276 -11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.716 0.256 -9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.995 0.456 -10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.368 2.005 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.216 0.771 -7.288 1.00 0.00 H new ATOM 263 N LYS A 20 -0.318 3.543 -10.253 1.00 0.00 N ATOM 264 CA LYS A 20 -1.260 4.325 -9.470 1.00 0.00 C ATOM 265 C LYS A 20 -2.598 3.585 -9.403 1.00 0.00 C ATOM 266 O LYS A 20 -3.176 3.437 -8.327 1.00 0.00 O ATOM 267 CB LYS A 20 -1.371 5.745 -10.028 1.00 0.00 C ATOM 268 CG LYS A 20 -2.637 6.437 -9.518 1.00 0.00 C ATOM 269 CD LYS A 20 -2.357 7.899 -9.162 1.00 0.00 C ATOM 270 CE LYS A 20 -1.919 8.690 -10.396 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.059 8.882 -11.320 1.00 0.00 N ATOM 0 H LYS A 20 -0.314 3.754 -11.251 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.904 4.436 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.494 6.323 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.384 5.712 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.415 6.387 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.015 5.911 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.252 8.351 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.580 7.949 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.522 9.659 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.114 8.162 -10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.793 9.559 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.311 7.971 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.875 9.251 -10.792 1.00 0.00 H new ATOM 285 N PHE A 21 -3.051 3.140 -10.566 1.00 0.00 N ATOM 286 CA PHE A 21 -4.310 2.419 -10.652 1.00 0.00 C ATOM 287 C PHE A 21 -4.225 1.078 -9.920 1.00 0.00 C ATOM 288 O PHE A 21 -5.241 0.538 -9.487 1.00 0.00 O ATOM 289 CB PHE A 21 -4.576 2.161 -12.136 1.00 0.00 C ATOM 290 CG PHE A 21 -5.176 3.357 -12.878 1.00 0.00 C ATOM 291 CD1 PHE A 21 -4.532 4.555 -12.871 1.00 0.00 C ATOM 292 CD2 PHE A 21 -6.354 3.223 -13.544 1.00 0.00 C ATOM 293 CE1 PHE A 21 -5.089 5.665 -13.559 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.911 4.333 -14.233 1.00 0.00 C ATOM 295 CZ PHE A 21 -6.267 5.530 -14.226 1.00 0.00 C ATOM 0 H PHE A 21 -2.569 3.265 -11.456 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.106 3.004 -10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.640 1.879 -12.619 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.252 1.311 -12.231 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.597 4.662 -12.342 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.866 2.272 -13.549 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.578 6.616 -13.553 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.846 4.226 -14.762 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.691 6.374 -14.750 1.00 0.00 H new ATOM 305 N ILE A 22 -3.003 0.579 -9.805 1.00 0.00 N ATOM 306 CA ILE A 22 -2.772 -0.688 -9.134 1.00 0.00 C ATOM 307 C ILE A 22 -2.922 -0.495 -7.623 1.00 0.00 C ATOM 308 O ILE A 22 -3.279 -1.429 -6.907 1.00 0.00 O ATOM 309 CB ILE A 22 -1.421 -1.276 -9.547 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.298 -1.349 -11.071 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.190 -2.637 -8.888 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.161 -1.521 -11.495 1.00 0.00 C ATOM 0 H ILE A 22 -2.162 1.030 -10.166 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.519 -1.421 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.636 -0.609 -9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.891 -2.183 -11.448 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.705 -0.441 -11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.223 -3.032 -9.199 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.204 -2.524 -7.804 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.978 -3.326 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.221 -1.570 -12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.746 -0.674 -11.137 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.558 -2.442 -11.068 1.00 0.00 H new ATOM 324 N ILE A 23 -2.642 0.723 -7.184 1.00 0.00 N ATOM 325 CA ILE A 23 -2.742 1.051 -5.772 1.00 0.00 C ATOM 326 C ILE A 23 -4.186 1.434 -5.442 1.00 0.00 C ATOM 327 O ILE A 23 -4.773 0.903 -4.501 1.00 0.00 O ATOM 328 CB ILE A 23 -1.719 2.126 -5.398 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.292 1.584 -5.497 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.017 2.709 -4.015 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.162 0.248 -4.763 1.00 0.00 C ATOM 0 H ILE A 23 -2.346 1.495 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.495 0.183 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.803 2.942 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.020 1.456 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.406 2.306 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.275 3.470 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.011 3.157 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.978 1.915 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.862 -0.116 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.412 0.385 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.843 -0.478 -5.206 1.00 0.00 H new ATOM 343 N HIS A 24 -4.717 2.353 -6.236 1.00 0.00 N ATOM 344 CA HIS A 24 -6.081 2.813 -6.040 1.00 0.00 C ATOM 345 C HIS A 24 -6.973 1.628 -5.664 1.00 0.00 C ATOM 346 O HIS A 24 -7.867 1.760 -4.829 1.00 0.00 O ATOM 347 CB HIS A 24 -6.583 3.565 -7.274 1.00 0.00 C ATOM 348 CG HIS A 24 -6.944 5.007 -7.009 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.253 5.446 -6.912 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.155 6.104 -6.822 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.241 6.750 -6.677 1.00 0.00 C ATOM 352 NE2 HIS A 24 -6.940 7.156 -6.623 1.00 0.00 N ATOM 0 H HIS A 24 -4.227 2.791 -7.016 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.114 3.524 -5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.815 3.529 -8.046 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.457 3.049 -7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.075 6.115 -6.834 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.109 7.380 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.622 8.111 -6.457 1.00 0.00 H new ATOM 360 N ASN A 25 -6.699 0.497 -6.298 1.00 0.00 N ATOM 361 CA ASN A 25 -7.466 -0.710 -6.040 1.00 0.00 C ATOM 362 C ASN A 25 -7.007 -1.327 -4.718 1.00 0.00 C ATOM 363 O ASN A 25 -7.827 -1.621 -3.849 1.00 0.00 O ATOM 364 CB ASN A 25 -7.250 -1.745 -7.146 1.00 0.00 C ATOM 365 CG ASN A 25 -8.379 -1.690 -8.177 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.399 -2.348 -8.054 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.140 -0.871 -9.197 1.00 0.00 N ATOM 0 H ASN A 25 -5.957 0.391 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.521 -0.439 -6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.294 -1.563 -7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.199 -2.743 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.832 -0.764 -9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.264 -0.349 -9.238 1.00 0.00 H new ATOM 374 N ALA A 26 -5.699 -1.505 -4.606 1.00 0.00 N ATOM 375 CA ALA A 26 -5.122 -2.083 -3.404 1.00 0.00 C ATOM 376 C ALA A 26 -5.829 -1.506 -2.176 1.00 0.00 C ATOM 377 O ALA A 26 -6.025 -2.204 -1.183 1.00 0.00 O ATOM 378 CB ALA A 26 -3.615 -1.822 -3.385 1.00 0.00 C ATOM 0 H ALA A 26 -5.022 -1.259 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.266 -3.163 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.182 -2.255 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.156 -2.277 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.432 -0.748 -3.395 1.00 0.00 H new ATOM 384 N LEU A 27 -6.193 -0.236 -2.285 1.00 0.00 N ATOM 385 CA LEU A 27 -6.874 0.443 -1.196 1.00 0.00 C ATOM 386 C LEU A 27 -8.288 -0.123 -1.053 1.00 0.00 C ATOM 387 O LEU A 27 -8.706 -0.490 0.044 1.00 0.00 O ATOM 388 CB LEU A 27 -6.836 1.959 -1.402 1.00 0.00 C ATOM 389 CG LEU A 27 -5.481 2.547 -1.802 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.530 4.076 -1.816 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.365 2.017 -0.899 1.00 0.00 C ATOM 0 H LEU A 27 -6.029 0.340 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.360 0.260 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.564 2.220 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.160 2.440 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.254 2.223 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.555 4.469 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.281 4.409 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.790 4.441 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.413 2.450 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.573 2.291 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.313 0.932 -0.983 1.00 0.00 H new ATOM 403 N SER A 28 -8.987 -0.175 -2.177 1.00 0.00 N ATOM 404 CA SER A 28 -10.345 -0.690 -2.191 1.00 0.00 C ATOM 405 C SER A 28 -10.327 -2.218 -2.117 1.00 0.00 C ATOM 406 O SER A 28 -11.379 -2.855 -2.115 1.00 0.00 O ATOM 407 CB SER A 28 -11.096 -0.228 -3.442 1.00 0.00 C ATOM 408 OG SER A 28 -11.534 1.124 -3.333 1.00 0.00 O ATOM 0 H SER A 28 -8.638 0.131 -3.085 1.00 0.00 H new ATOM 0 HA SER A 28 -10.868 -0.297 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.448 -0.330 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.957 -0.876 -3.608 1.00 0.00 H new ATOM 0 HG SER A 28 -12.007 1.382 -4.152 1.00 0.00 H new ATOM 414 N HIS A 29 -9.120 -2.761 -2.058 1.00 0.00 N ATOM 415 CA HIS A 29 -8.951 -4.202 -1.984 1.00 0.00 C ATOM 416 C HIS A 29 -9.109 -4.663 -0.534 1.00 0.00 C ATOM 417 O HIS A 29 -9.846 -5.608 -0.256 1.00 0.00 O ATOM 418 CB HIS A 29 -7.615 -4.624 -2.598 1.00 0.00 C ATOM 419 CG HIS A 29 -7.710 -5.051 -4.043 1.00 0.00 C ATOM 420 ND1 HIS A 29 -8.496 -4.590 -5.058 1.00 0.00 N flip ATOM 421 CD2 HIS A 29 -6.936 -6.066 -4.579 1.00 0.00 C flip ATOM 422 CE1 HIS A 29 -8.217 -5.284 -6.154 1.00 0.00 C flip ATOM 423 NE2 HIS A 29 -7.250 -6.200 -5.859 1.00 0.00 N flip ATOM 0 H HIS A 29 -8.250 -2.229 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.726 -4.694 -2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.913 -3.794 -2.521 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.202 -5.446 -2.013 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -9.182 -3.839 -4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.201 -6.649 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.679 -5.146 -7.120 1.00 0.00 H new ATOM 431 N CYS A 30 -8.405 -3.975 0.353 1.00 0.00 N ATOM 432 CA CYS A 30 -8.458 -4.302 1.767 1.00 0.00 C ATOM 433 C CYS A 30 -7.534 -3.342 2.518 1.00 0.00 C ATOM 434 O CYS A 30 -7.855 -2.899 3.620 1.00 0.00 O ATOM 435 CB CYS A 30 -8.091 -5.765 2.024 1.00 0.00 C ATOM 436 SG CYS A 30 -9.284 -6.515 3.191 1.00 0.00 S ATOM 0 H CYS A 30 -7.795 -3.192 0.119 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.478 -4.182 2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.091 -6.319 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.082 -5.829 2.432 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.964 -7.758 3.400 1.00 0.00 H new ATOM 442 N CYS A 31 -6.404 -3.047 1.891 1.00 0.00 N ATOM 443 CA CYS A 31 -5.431 -2.147 2.486 1.00 0.00 C ATOM 444 C CYS A 31 -6.187 -1.002 3.164 1.00 0.00 C ATOM 445 O CYS A 31 -5.891 -0.648 4.304 1.00 0.00 O ATOM 446 CB CYS A 31 -4.428 -1.635 1.451 1.00 0.00 C ATOM 447 SG CYS A 31 -3.168 -2.919 1.111 1.00 0.00 S ATOM 0 H CYS A 31 -6.141 -3.416 0.977 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.843 -2.684 3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.947 -1.370 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.946 -0.729 1.817 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.746 -2.800 -0.113 1.00 0.00 H new ATOM 453 N LEU A 32 -7.147 -0.456 2.433 1.00 0.00 N ATOM 454 CA LEU A 32 -7.948 0.641 2.949 1.00 0.00 C ATOM 455 C LEU A 32 -9.412 0.426 2.561 1.00 0.00 C ATOM 456 O LEU A 32 -10.127 1.383 2.268 1.00 0.00 O ATOM 457 CB LEU A 32 -7.380 1.984 2.484 1.00 0.00 C ATOM 458 CG LEU A 32 -6.162 2.500 3.254 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.510 3.675 2.525 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.535 2.854 4.695 1.00 0.00 C ATOM 0 H LEU A 32 -7.388 -0.753 1.487 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.907 0.663 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.110 1.897 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.170 2.732 2.549 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.423 1.701 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.647 4.022 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.187 3.355 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.230 4.487 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.652 3.218 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.301 3.629 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.918 1.967 5.200 1.00 0.00 H new ATOM 472 N ALA A 33 -9.814 -0.836 2.572 1.00 0.00 N ATOM 473 CA ALA A 33 -11.180 -1.190 2.224 1.00 0.00 C ATOM 474 C ALA A 33 -11.989 -1.400 3.506 1.00 0.00 C ATOM 475 O ALA A 33 -11.580 -2.156 4.386 1.00 0.00 O ATOM 476 CB ALA A 33 -11.175 -2.430 1.328 1.00 0.00 C ATOM 0 H ALA A 33 -9.218 -1.627 2.816 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.654 -0.385 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.200 -2.695 1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.612 -2.219 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.709 -3.260 1.859 1.00 0.00 H new ATOM 482 N GLY A 34 -13.124 -0.718 3.570 1.00 0.00 N ATOM 483 CA GLY A 34 -13.994 -0.821 4.729 1.00 0.00 C ATOM 484 C GLY A 34 -14.675 0.517 5.024 1.00 0.00 C ATOM 485 O GLY A 34 -14.498 1.484 4.284 1.00 0.00 O ATOM 0 H GLY A 34 -13.461 -0.092 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.750 -1.587 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.414 -1.137 5.596 1.00 0.00 H new ATOM 489 N LYS A 35 -15.439 0.530 6.106 1.00 0.00 N ATOM 490 CA LYS A 35 -16.146 1.733 6.508 1.00 0.00 C ATOM 491 C LYS A 35 -15.222 2.602 7.364 1.00 0.00 C ATOM 492 O LYS A 35 -15.207 3.824 7.224 1.00 0.00 O ATOM 493 CB LYS A 35 -17.465 1.374 7.197 1.00 0.00 C ATOM 494 CG LYS A 35 -17.260 0.262 8.228 1.00 0.00 C ATOM 495 CD LYS A 35 -17.665 -1.097 7.656 1.00 0.00 C ATOM 496 CE LYS A 35 -17.133 -2.239 8.525 1.00 0.00 C ATOM 497 NZ LYS A 35 -15.907 -2.816 7.929 1.00 0.00 N ATOM 0 H LYS A 35 -15.584 -0.274 6.717 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.419 2.324 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.876 2.257 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.193 1.054 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.215 0.234 8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.849 0.475 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.751 -1.160 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.280 -1.198 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.918 -1.871 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.894 -3.012 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.559 -3.589 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.123 -3.185 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.177 -2.079 7.856 1.00 0.00 H new ATOM 511 N VAL A 36 -14.473 1.937 8.231 1.00 0.00 N ATOM 512 CA VAL A 36 -13.548 2.633 9.109 1.00 0.00 C ATOM 513 C VAL A 36 -12.509 3.373 8.265 1.00 0.00 C ATOM 514 O VAL A 36 -12.003 4.418 8.671 1.00 0.00 O ATOM 515 CB VAL A 36 -12.923 1.647 10.099 1.00 0.00 C ATOM 516 CG1 VAL A 36 -11.399 1.626 9.962 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.341 1.972 11.534 1.00 0.00 C ATOM 0 H VAL A 36 -14.488 0.923 8.344 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.075 3.380 9.704 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.295 0.650 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.979 0.918 10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.129 1.324 8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.002 2.621 10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.883 1.257 12.217 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.012 2.979 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.426 1.912 11.619 1.00 0.00 H new ATOM 527 N ASN A 37 -12.220 2.801 7.105 1.00 0.00 N ATOM 528 CA ASN A 37 -11.250 3.393 6.200 1.00 0.00 C ATOM 529 C ASN A 37 -11.984 4.036 5.021 1.00 0.00 C ATOM 530 O ASN A 37 -11.437 4.136 3.924 1.00 0.00 O ATOM 531 CB ASN A 37 -10.299 2.332 5.642 1.00 0.00 C ATOM 532 CG ASN A 37 -9.152 2.057 6.617 1.00 0.00 C ATOM 533 OD1 ASN A 37 -8.429 2.948 7.033 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.026 0.778 6.956 1.00 0.00 N ATOM 0 H ASN A 37 -12.641 1.934 6.771 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.677 4.134 6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.848 1.410 5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.896 2.666 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.290 0.492 7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.665 0.083 6.571 1.00 0.00 H new ATOM 541 N GLU A 38 -13.212 4.455 5.289 1.00 0.00 N ATOM 542 CA GLU A 38 -14.027 5.086 4.264 1.00 0.00 C ATOM 543 C GLU A 38 -13.609 6.546 4.077 1.00 0.00 C ATOM 544 O GLU A 38 -13.542 7.037 2.951 1.00 0.00 O ATOM 545 CB GLU A 38 -15.515 4.981 4.605 1.00 0.00 C ATOM 546 CG GLU A 38 -16.370 5.689 3.553 1.00 0.00 C ATOM 547 CD GLU A 38 -17.635 6.279 4.180 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.638 5.536 4.242 1.00 0.00 O ATOM 549 OE2 GLU A 38 -17.569 7.460 4.584 1.00 0.00 O ATOM 0 H GLU A 38 -13.662 4.370 6.200 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.865 4.559 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.804 3.932 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.699 5.422 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.790 6.482 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.644 4.984 2.768 1.00 0.00 H new ATOM 556 N PRO A 39 -13.332 7.216 5.228 1.00 0.00 N ATOM 557 CA PRO A 39 -12.922 8.610 5.202 1.00 0.00 C ATOM 558 C PRO A 39 -11.472 8.746 4.732 1.00 0.00 C ATOM 559 O PRO A 39 -11.185 9.503 3.805 1.00 0.00 O ATOM 560 CB PRO A 39 -13.136 9.109 6.621 1.00 0.00 C ATOM 561 CG PRO A 39 -13.214 7.866 7.493 1.00 0.00 C ATOM 562 CD PRO A 39 -13.400 6.666 6.579 1.00 0.00 C ATOM 0 HA PRO A 39 -13.498 9.205 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.317 9.756 6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.052 9.696 6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.305 7.758 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.044 7.944 8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.623 5.919 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.356 6.175 6.759 1.00 0.00 H new ATOM 570 N GLN A 40 -10.597 8.002 5.392 1.00 0.00 N ATOM 571 CA GLN A 40 -9.184 8.031 5.054 1.00 0.00 C ATOM 572 C GLN A 40 -8.982 7.648 3.586 1.00 0.00 C ATOM 573 O GLN A 40 -8.396 8.408 2.817 1.00 0.00 O ATOM 574 CB GLN A 40 -8.381 7.112 5.976 1.00 0.00 C ATOM 575 CG GLN A 40 -7.115 6.607 5.280 1.00 0.00 C ATOM 576 CD GLN A 40 -5.982 6.399 6.286 1.00 0.00 C ATOM 577 OE1 GLN A 40 -5.884 5.154 6.742 1.00 0.00 O flip ATOM 578 NE2 GLN A 40 -5.244 7.310 6.627 1.00 0.00 N flip ATOM 0 H GLN A 40 -10.839 7.375 6.159 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.816 9.047 5.198 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.111 7.649 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.997 6.265 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.327 5.669 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.804 7.323 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.374 8.244 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.498 7.137 7.301 1.00 0.00 H new ATOM 587 N LYS A 41 -9.480 6.469 3.242 1.00 0.00 N ATOM 588 CA LYS A 41 -9.361 5.976 1.880 1.00 0.00 C ATOM 589 C LYS A 41 -9.531 7.141 0.904 1.00 0.00 C ATOM 590 O LYS A 41 -8.635 7.426 0.110 1.00 0.00 O ATOM 591 CB LYS A 41 -10.340 4.824 1.640 1.00 0.00 C ATOM 592 CG LYS A 41 -10.381 4.439 0.160 1.00 0.00 C ATOM 593 CD LYS A 41 -11.562 3.511 -0.132 1.00 0.00 C ATOM 594 CE LYS A 41 -12.861 4.080 0.441 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.033 3.428 -0.185 1.00 0.00 N ATOM 0 H LYS A 41 -9.966 5.841 3.882 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.368 5.560 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.044 3.961 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.337 5.114 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.460 5.338 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.449 3.946 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.664 3.375 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.371 2.527 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.886 3.929 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.901 5.156 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.907 3.826 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.016 3.594 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.002 2.405 0.001 1.00 0.00 H new ATOM 609 N ASN A 42 -10.687 7.783 0.993 1.00 0.00 N ATOM 610 CA ASN A 42 -10.986 8.910 0.127 1.00 0.00 C ATOM 611 C ASN A 42 -9.805 9.883 0.139 1.00 0.00 C ATOM 612 O ASN A 42 -9.359 10.336 -0.915 1.00 0.00 O ATOM 613 CB ASN A 42 -12.225 9.665 0.613 1.00 0.00 C ATOM 614 CG ASN A 42 -13.499 9.078 0.001 1.00 0.00 C ATOM 615 OD1 ASN A 42 -13.870 9.371 -1.124 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.146 8.237 0.802 1.00 0.00 N ATOM 0 H ASN A 42 -11.428 7.544 1.652 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.169 8.525 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.283 9.615 1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.141 10.719 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.008 7.793 0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.780 8.036 1.733 1.00 0.00 H new ATOM 623 N ARG A 43 -9.333 10.177 1.341 1.00 0.00 N ATOM 624 CA ARG A 43 -8.213 11.088 1.504 1.00 0.00 C ATOM 625 C ARG A 43 -6.970 10.531 0.807 1.00 0.00 C ATOM 626 O ARG A 43 -6.111 11.290 0.363 1.00 0.00 O ATOM 627 CB ARG A 43 -7.900 11.318 2.984 1.00 0.00 C ATOM 628 CG ARG A 43 -8.989 12.162 3.650 1.00 0.00 C ATOM 629 CD ARG A 43 -8.448 13.534 4.055 1.00 0.00 C ATOM 630 NE ARG A 43 -9.495 14.301 4.767 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.254 15.390 5.510 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.002 15.847 5.643 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.266 16.022 6.120 1.00 0.00 N ATOM 0 H ARG A 43 -9.706 9.800 2.212 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.492 12.040 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.815 10.359 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.936 11.818 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.828 12.286 2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.369 11.643 4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.574 13.415 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.123 14.081 3.170 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.460 13.981 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.232 15.366 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.819 16.676 6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.220 15.674 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.083 16.851 6.686 1.00 0.00 H new ATOM 647 N ILE A 44 -6.915 9.209 0.733 1.00 0.00 N ATOM 648 CA ILE A 44 -5.791 8.542 0.098 1.00 0.00 C ATOM 649 C ILE A 44 -5.976 8.575 -1.420 1.00 0.00 C ATOM 650 O ILE A 44 -5.004 8.697 -2.165 1.00 0.00 O ATOM 651 CB ILE A 44 -5.616 7.132 0.666 1.00 0.00 C ATOM 652 CG1 ILE A 44 -5.632 7.150 2.195 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.350 6.472 0.114 1.00 0.00 C ATOM 654 CD1 ILE A 44 -4.867 8.360 2.737 1.00 0.00 C ATOM 0 H ILE A 44 -7.630 8.582 1.102 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.862 9.067 0.317 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.463 6.527 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.662 7.177 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.186 6.232 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.249 5.471 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.418 6.405 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.480 7.069 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.894 8.349 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.832 8.317 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.330 9.277 2.372 1.00 0.00 H new ATOM 666 N LEU A 45 -7.230 8.465 -1.834 1.00 0.00 N ATOM 667 CA LEU A 45 -7.554 8.481 -3.251 1.00 0.00 C ATOM 668 C LEU A 45 -7.350 9.895 -3.800 1.00 0.00 C ATOM 669 O LEU A 45 -6.776 10.070 -4.874 1.00 0.00 O ATOM 670 CB LEU A 45 -8.961 7.927 -3.485 1.00 0.00 C ATOM 671 CG LEU A 45 -9.245 6.546 -2.892 1.00 0.00 C ATOM 672 CD1 LEU A 45 -10.749 6.276 -2.826 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.500 5.454 -3.664 1.00 0.00 C ATOM 0 H LEU A 45 -8.033 8.364 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.882 7.824 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.681 8.633 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.138 7.883 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.870 6.530 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.923 5.288 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.227 7.030 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.171 6.318 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.719 4.482 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.822 5.460 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.427 5.641 -3.615 1.00 0.00 H new ATOM 685 N GLU A 46 -7.832 10.866 -3.039 1.00 0.00 N ATOM 686 CA GLU A 46 -7.710 12.258 -3.436 1.00 0.00 C ATOM 687 C GLU A 46 -6.242 12.687 -3.425 1.00 0.00 C ATOM 688 O GLU A 46 -5.771 13.328 -4.363 1.00 0.00 O ATOM 689 CB GLU A 46 -8.552 13.162 -2.533 1.00 0.00 C ATOM 690 CG GLU A 46 -7.923 13.289 -1.144 1.00 0.00 C ATOM 691 CD GLU A 46 -8.852 14.039 -0.188 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.025 13.619 -0.090 1.00 0.00 O ATOM 693 OE2 GLU A 46 -8.368 15.016 0.423 1.00 0.00 O ATOM 0 H GLU A 46 -8.308 10.716 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.090 12.360 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.645 14.149 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.560 12.756 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.709 12.297 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.971 13.815 -1.219 1.00 0.00 H new ATOM 700 N GLU A 47 -5.558 12.315 -2.352 1.00 0.00 N ATOM 701 CA GLU A 47 -4.153 12.653 -2.206 1.00 0.00 C ATOM 702 C GLU A 47 -3.351 12.113 -3.392 1.00 0.00 C ATOM 703 O GLU A 47 -2.605 12.854 -4.030 1.00 0.00 O ATOM 704 CB GLU A 47 -3.596 12.125 -0.882 1.00 0.00 C ATOM 705 CG GLU A 47 -4.107 12.955 0.297 1.00 0.00 C ATOM 706 CD GLU A 47 -3.243 14.200 0.507 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.006 14.056 0.401 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.839 15.267 0.769 1.00 0.00 O ATOM 0 H GLU A 47 -5.951 11.783 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.061 13.739 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.887 11.083 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.507 12.152 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.140 13.251 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.103 12.348 1.202 1.00 0.00 H new ATOM 715 N ILE A 48 -3.532 10.827 -3.652 1.00 0.00 N ATOM 716 CA ILE A 48 -2.835 10.179 -4.750 1.00 0.00 C ATOM 717 C ILE A 48 -3.120 10.938 -6.047 1.00 0.00 C ATOM 718 O ILE A 48 -2.207 11.209 -6.825 1.00 0.00 O ATOM 719 CB ILE A 48 -3.198 8.694 -4.813 1.00 0.00 C ATOM 720 CG1 ILE A 48 -2.742 7.963 -3.549 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.641 8.047 -6.083 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.528 6.666 -3.352 1.00 0.00 C ATOM 0 H ILE A 48 -4.152 10.216 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.757 10.213 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.284 8.610 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.677 7.740 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.877 8.610 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.913 6.992 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.057 8.546 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.555 8.142 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.184 6.166 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.590 6.894 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.371 6.012 -4.210 1.00 0.00 H new ATOM 734 N GLU A 49 -4.391 11.259 -6.240 1.00 0.00 N ATOM 735 CA GLU A 49 -4.807 11.982 -7.431 1.00 0.00 C ATOM 736 C GLU A 49 -4.219 13.394 -7.427 1.00 0.00 C ATOM 737 O GLU A 49 -3.868 13.926 -8.479 1.00 0.00 O ATOM 738 CB GLU A 49 -6.333 12.024 -7.540 1.00 0.00 C ATOM 739 CG GLU A 49 -6.895 10.646 -7.897 1.00 0.00 C ATOM 740 CD GLU A 49 -8.000 10.760 -8.949 1.00 0.00 C ATOM 741 OE1 GLU A 49 -9.020 11.411 -8.633 1.00 0.00 O ATOM 742 OE2 GLU A 49 -7.800 10.195 -10.046 1.00 0.00 O ATOM 0 H GLU A 49 -5.146 11.032 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.427 11.454 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.760 12.361 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.627 12.749 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.094 10.009 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.289 10.167 -7.001 1.00 0.00 H new ATOM 749 N LYS A 50 -4.128 13.960 -6.233 1.00 0.00 N ATOM 750 CA LYS A 50 -3.587 15.300 -6.079 1.00 0.00 C ATOM 751 C LYS A 50 -2.061 15.243 -6.166 1.00 0.00 C ATOM 752 O LYS A 50 -1.413 16.252 -6.439 1.00 0.00 O ATOM 753 CB LYS A 50 -4.107 15.943 -4.792 1.00 0.00 C ATOM 754 CG LYS A 50 -3.005 16.016 -3.732 1.00 0.00 C ATOM 755 CD LYS A 50 -3.560 16.520 -2.399 1.00 0.00 C ATOM 756 CE LYS A 50 -4.507 17.703 -2.611 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.472 18.612 -1.444 1.00 0.00 N ATOM 0 H LYS A 50 -4.420 13.515 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.928 15.944 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.478 16.945 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.949 15.367 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.561 15.030 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.210 16.679 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.089 15.713 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.738 16.820 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.222 18.247 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.523 17.340 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.120 19.409 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.765 18.094 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.505 18.973 -1.314 1.00 0.00 H new ATOM 771 N SER A 51 -1.531 14.052 -5.927 1.00 0.00 N ATOM 772 CA SER A 51 -0.093 13.850 -5.974 1.00 0.00 C ATOM 773 C SER A 51 0.374 13.751 -7.428 1.00 0.00 C ATOM 774 O SER A 51 -0.350 13.245 -8.283 1.00 0.00 O ATOM 775 CB SER A 51 0.313 12.595 -5.200 1.00 0.00 C ATOM 776 OG SER A 51 1.690 12.276 -5.383 1.00 0.00 O ATOM 0 H SER A 51 -2.072 13.217 -5.700 1.00 0.00 H new ATOM 0 HA SER A 51 0.388 14.706 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.113 12.743 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.300 11.754 -5.525 1.00 0.00 H new ATOM 0 HG SER A 51 2.204 12.590 -4.610 1.00 0.00 H new ATOM 782 N LYS A 52 1.582 14.244 -7.663 1.00 0.00 N ATOM 783 CA LYS A 52 2.154 14.217 -8.998 1.00 0.00 C ATOM 784 C LYS A 52 3.117 13.034 -9.112 1.00 0.00 C ATOM 785 O LYS A 52 4.015 13.039 -9.953 1.00 0.00 O ATOM 786 CB LYS A 52 2.794 15.566 -9.334 1.00 0.00 C ATOM 787 CG LYS A 52 1.770 16.520 -9.953 1.00 0.00 C ATOM 788 CD LYS A 52 1.418 16.096 -11.380 1.00 0.00 C ATOM 789 CE LYS A 52 0.663 17.207 -12.112 1.00 0.00 C ATOM 790 NZ LYS A 52 1.608 18.219 -12.634 1.00 0.00 N ATOM 0 H LYS A 52 2.180 14.664 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 52 1.374 14.066 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.210 16.010 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.623 15.417 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.868 16.537 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.170 17.534 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.329 15.850 -11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.808 15.193 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.086 16.782 -12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.047 17.680 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.079 18.966 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.141 18.636 -11.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.269 17.767 -13.297 1.00 0.00 H new ATOM 804 N ALA A 53 2.897 12.049 -8.254 1.00 0.00 N ATOM 805 CA ALA A 53 3.735 10.861 -8.248 1.00 0.00 C ATOM 806 C ALA A 53 2.959 9.692 -8.858 1.00 0.00 C ATOM 807 O ALA A 53 1.751 9.574 -8.659 1.00 0.00 O ATOM 808 CB ALA A 53 4.199 10.571 -6.820 1.00 0.00 C ATOM 0 H ALA A 53 2.151 12.049 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 53 4.627 11.017 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.827 9.680 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.770 11.420 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.331 10.406 -6.182 1.00 0.00 H new ATOM 814 N ASN A 54 3.685 8.858 -9.587 1.00 0.00 N ATOM 815 CA ASN A 54 3.080 7.702 -10.227 1.00 0.00 C ATOM 816 C ASN A 54 3.526 6.431 -9.502 1.00 0.00 C ATOM 817 O ASN A 54 3.032 5.342 -9.790 1.00 0.00 O ATOM 818 CB ASN A 54 3.517 7.590 -11.689 1.00 0.00 C ATOM 819 CG ASN A 54 5.040 7.656 -11.813 1.00 0.00 C ATOM 820 OD1 ASN A 54 5.746 6.675 -11.647 1.00 0.00 O ATOM 821 ND2 ASN A 54 5.507 8.866 -12.111 1.00 0.00 N ATOM 0 H ASN A 54 4.687 8.959 -9.749 1.00 0.00 H new ATOM 0 HA ASN A 54 1.997 7.820 -10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.155 6.652 -12.110 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.066 8.395 -12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.511 9.014 -12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.861 9.645 -12.237 1.00 0.00 H new ATOM 828 N HIS A 55 4.454 6.612 -8.574 1.00 0.00 N ATOM 829 CA HIS A 55 4.972 5.494 -7.805 1.00 0.00 C ATOM 830 C HIS A 55 4.541 5.632 -6.344 1.00 0.00 C ATOM 831 O HIS A 55 5.105 6.432 -5.599 1.00 0.00 O ATOM 832 CB HIS A 55 6.489 5.379 -7.967 1.00 0.00 C ATOM 833 CG HIS A 55 7.045 4.022 -7.606 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.391 3.715 -7.697 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.422 2.896 -7.153 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.560 2.458 -7.315 1.00 0.00 C ATOM 837 NE2 HIS A 55 7.339 1.952 -6.978 1.00 0.00 N ATOM 0 H HIS A 55 4.861 7.517 -8.337 1.00 0.00 H new ATOM 0 HA HIS A 55 4.553 4.562 -8.185 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.752 5.604 -9.001 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.969 6.134 -7.344 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.363 2.790 -6.968 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.500 1.927 -7.277 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.160 1.004 -6.646 1.00 0.00 H new ATOM 845 N PHE A 56 3.544 4.840 -5.977 1.00 0.00 N ATOM 846 CA PHE A 56 3.030 4.864 -4.618 1.00 0.00 C ATOM 847 C PHE A 56 3.346 3.557 -3.889 1.00 0.00 C ATOM 848 O PHE A 56 3.765 2.581 -4.510 1.00 0.00 O ATOM 849 CB PHE A 56 1.512 5.024 -4.717 1.00 0.00 C ATOM 850 CG PHE A 56 1.066 6.315 -5.407 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.936 6.352 -6.760 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.800 7.425 -4.668 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.522 7.550 -7.401 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.386 8.623 -5.309 1.00 0.00 C ATOM 855 CZ PHE A 56 0.256 8.660 -6.662 1.00 0.00 C ATOM 0 H PHE A 56 3.078 4.178 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 56 3.490 5.680 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.102 4.173 -5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.088 4.995 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.148 5.471 -7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.904 7.396 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.418 7.579 -8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.174 9.504 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.058 9.571 -7.150 1.00 0.00 H new ATOM 865 N LEU A 57 3.134 3.579 -2.581 1.00 0.00 N ATOM 866 CA LEU A 57 3.391 2.407 -1.761 1.00 0.00 C ATOM 867 C LEU A 57 2.493 2.449 -0.523 1.00 0.00 C ATOM 868 O LEU A 57 2.054 3.520 -0.107 1.00 0.00 O ATOM 869 CB LEU A 57 4.882 2.298 -1.436 1.00 0.00 C ATOM 870 CG LEU A 57 5.773 1.748 -2.551 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.271 2.873 -3.461 1.00 0.00 C ATOM 872 CD2 LEU A 57 6.927 0.924 -1.976 1.00 0.00 C ATOM 0 H LEU A 57 2.787 4.390 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 57 3.140 1.497 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.247 3.288 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.997 1.661 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 57 5.173 1.077 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.902 2.454 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.418 3.379 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.848 3.588 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.545 0.545 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.533 1.552 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.527 0.087 -1.404 1.00 0.00 H new ATOM 884 N ILE A 58 2.246 1.271 0.030 1.00 0.00 N ATOM 885 CA ILE A 58 1.409 1.160 1.212 1.00 0.00 C ATOM 886 C ILE A 58 2.275 0.772 2.411 1.00 0.00 C ATOM 887 O ILE A 58 2.708 -0.374 2.524 1.00 0.00 O ATOM 888 CB ILE A 58 0.246 0.198 0.956 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.720 0.770 -0.084 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.465 -0.162 2.262 1.00 0.00 C ATOM 891 CD1 ILE A 58 -1.027 -0.261 -1.172 1.00 0.00 C ATOM 0 H ILE A 58 2.611 0.385 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 58 0.952 2.121 1.447 1.00 0.00 H new ATOM 0 HB ILE A 58 0.651 -0.726 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.646 1.076 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.287 1.663 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.287 -0.846 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.241 -0.640 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.856 0.744 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.716 0.171 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.102 -0.547 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.482 -1.142 -0.720 1.00 0.00 H new ATOM 903 N LEU A 59 2.503 1.748 3.277 1.00 0.00 N ATOM 904 CA LEU A 59 3.310 1.523 4.464 1.00 0.00 C ATOM 905 C LEU A 59 2.528 0.653 5.450 1.00 0.00 C ATOM 906 O LEU A 59 1.457 1.041 5.912 1.00 0.00 O ATOM 907 CB LEU A 59 3.776 2.855 5.056 1.00 0.00 C ATOM 908 CG LEU A 59 4.649 2.764 6.309 1.00 0.00 C ATOM 909 CD1 LEU A 59 6.072 2.325 5.955 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.632 4.081 7.086 1.00 0.00 C ATOM 0 H LEU A 59 2.143 2.697 3.180 1.00 0.00 H new ATOM 0 HA LEU A 59 4.219 0.978 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.331 3.396 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.896 3.452 5.294 1.00 0.00 H new ATOM 0 HG LEU A 59 4.229 1.999 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.672 2.268 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.042 1.345 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.516 3.048 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.260 3.989 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.013 4.882 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.611 4.312 7.388 1.00 0.00 H new ATOM 922 N PHE A 60 3.095 -0.509 5.742 1.00 0.00 N ATOM 923 CA PHE A 60 2.464 -1.438 6.664 1.00 0.00 C ATOM 924 C PHE A 60 3.013 -1.261 8.081 1.00 0.00 C ATOM 925 O PHE A 60 3.832 -0.377 8.328 1.00 0.00 O ATOM 926 CB PHE A 60 2.795 -2.849 6.174 1.00 0.00 C ATOM 927 CG PHE A 60 2.152 -3.209 4.833 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.898 -2.772 4.541 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.835 -3.965 3.933 1.00 0.00 C ATOM 930 CE1 PHE A 60 0.301 -3.106 3.297 1.00 0.00 C ATOM 931 CE2 PHE A 60 2.239 -4.299 2.688 1.00 0.00 C ATOM 932 CZ PHE A 60 0.984 -3.862 2.397 1.00 0.00 C ATOM 0 H PHE A 60 3.984 -0.828 5.356 1.00 0.00 H new ATOM 0 HA PHE A 60 1.389 -1.260 6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.877 -2.947 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.471 -3.569 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.356 -2.171 5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.831 -4.312 4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.695 -2.760 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.782 -4.899 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.530 -4.116 1.450 1.00 0.00 H new ATOM 942 N ARG A 61 2.540 -2.116 8.976 1.00 0.00 N ATOM 943 CA ARG A 61 2.973 -2.066 10.362 1.00 0.00 C ATOM 944 C ARG A 61 3.916 -3.232 10.666 1.00 0.00 C ATOM 945 O ARG A 61 3.971 -3.712 11.797 1.00 0.00 O ATOM 946 CB ARG A 61 1.778 -2.124 11.315 1.00 0.00 C ATOM 947 CG ARG A 61 1.864 -1.019 12.370 1.00 0.00 C ATOM 948 CD ARG A 61 2.472 -1.548 13.670 1.00 0.00 C ATOM 949 NE ARG A 61 1.398 -1.966 14.598 1.00 0.00 N ATOM 950 CZ ARG A 61 1.542 -2.043 15.928 1.00 0.00 C ATOM 951 NH1 ARG A 61 2.716 -1.732 16.494 1.00 0.00 N ATOM 952 NH2 ARG A 61 0.512 -2.432 16.692 1.00 0.00 N ATOM 0 H ARG A 61 1.861 -2.848 8.768 1.00 0.00 H new ATOM 0 HA ARG A 61 3.497 -1.122 10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.852 -2.021 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.746 -3.097 11.804 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.469 -0.195 11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.869 -0.620 12.566 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.129 -2.392 13.457 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.085 -0.776 14.135 1.00 0.00 H new ATOM 0 HE ARG A 61 0.491 -2.211 14.200 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.500 -1.437 15.912 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.825 -1.791 17.506 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.381 -2.669 16.261 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.622 -2.491 17.704 1.00 0.00 H new ATOM 966 N ASP A 62 4.635 -3.654 9.636 1.00 0.00 N ATOM 967 CA ASP A 62 5.573 -4.755 9.779 1.00 0.00 C ATOM 968 C ASP A 62 4.796 -6.060 9.960 1.00 0.00 C ATOM 969 O ASP A 62 4.142 -6.261 10.982 1.00 0.00 O ATOM 970 CB ASP A 62 6.465 -4.562 11.007 1.00 0.00 C ATOM 971 CG ASP A 62 7.042 -3.154 11.172 1.00 0.00 C ATOM 972 OD1 ASP A 62 6.243 -2.247 11.490 1.00 0.00 O ATOM 973 OD2 ASP A 62 8.269 -3.017 10.977 1.00 0.00 O ATOM 0 H ASP A 62 4.587 -3.253 8.699 1.00 0.00 H new ATOM 0 HA ASP A 62 6.194 -4.788 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.889 -4.809 11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.290 -5.273 10.954 1.00 0.00 H new ATOM 978 N SER A 63 4.895 -6.915 8.952 1.00 0.00 N ATOM 979 CA SER A 63 4.210 -8.195 8.987 1.00 0.00 C ATOM 980 C SER A 63 2.810 -8.024 9.581 1.00 0.00 C ATOM 981 O SER A 63 2.631 -8.117 10.794 1.00 0.00 O ATOM 982 CB SER A 63 5.006 -9.224 9.792 1.00 0.00 C ATOM 983 OG SER A 63 4.900 -10.533 9.239 1.00 0.00 O ATOM 0 H SER A 63 5.440 -6.746 8.106 1.00 0.00 H new ATOM 0 HA SER A 63 4.121 -8.563 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.054 -8.927 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.647 -9.235 10.821 1.00 0.00 H new ATOM 0 HG SER A 63 5.423 -11.160 9.780 1.00 0.00 H new ATOM 989 N SER A 64 1.853 -7.778 8.698 1.00 0.00 N ATOM 990 CA SER A 64 0.475 -7.593 9.120 1.00 0.00 C ATOM 991 C SER A 64 -0.428 -7.424 7.897 1.00 0.00 C ATOM 992 O SER A 64 -1.493 -8.035 7.818 1.00 0.00 O ATOM 993 CB SER A 64 0.341 -6.385 10.050 1.00 0.00 C ATOM 994 OG SER A 64 -0.807 -6.482 10.888 1.00 0.00 O ATOM 0 H SER A 64 2.005 -7.703 7.692 1.00 0.00 H new ATOM 0 HA SER A 64 0.165 -8.479 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.235 -6.302 10.668 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.279 -5.474 9.455 1.00 0.00 H new ATOM 0 HG SER A 64 -0.856 -5.693 11.468 1.00 0.00 H new ATOM 1000 N CYS A 65 0.029 -6.591 6.973 1.00 0.00 N ATOM 1001 CA CYS A 65 -0.724 -6.334 5.758 1.00 0.00 C ATOM 1002 C CYS A 65 -1.854 -5.358 6.091 1.00 0.00 C ATOM 1003 O CYS A 65 -2.957 -5.475 5.559 1.00 0.00 O ATOM 1004 CB CYS A 65 -1.253 -7.628 5.136 1.00 0.00 C ATOM 1005 SG CYS A 65 -0.925 -7.635 3.335 1.00 0.00 S ATOM 0 H CYS A 65 0.912 -6.085 7.042 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.069 -5.889 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.775 -8.488 5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.324 -7.719 5.320 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.376 -8.739 2.816 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.541 -4.417 6.970 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.516 -3.421 7.380 1.00 0.00 C ATOM 1013 C GLN A 66 -1.996 -2.014 7.082 1.00 0.00 C ATOM 1014 O GLN A 66 -1.205 -1.465 7.849 1.00 0.00 O ATOM 1015 CB GLN A 66 -2.866 -3.574 8.861 1.00 0.00 C ATOM 1016 CG GLN A 66 -3.871 -4.708 9.073 1.00 0.00 C ATOM 1017 CD GLN A 66 -4.852 -4.368 10.197 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -4.576 -3.569 11.077 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -6.010 -5.018 10.120 1.00 0.00 N ATOM 0 H GLN A 66 -0.625 -4.324 7.410 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.429 -3.578 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.960 -3.774 9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.282 -2.640 9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.420 -4.890 8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.340 -5.629 9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.177 -5.674 9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.731 -4.861 10.824 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.460 -1.469 5.967 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.051 -0.136 5.558 1.00 0.00 C ATOM 1030 C PHE A 67 -1.927 0.794 6.767 1.00 0.00 C ATOM 1031 O PHE A 67 -2.811 0.829 7.621 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.140 0.400 4.627 1.00 0.00 C ATOM 1033 CG PHE A 67 -2.934 1.855 4.202 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.079 2.856 5.111 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.607 2.148 2.915 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.888 4.207 4.717 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.416 3.499 2.520 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.560 4.500 3.430 1.00 0.00 C ATOM 0 H PHE A 67 -3.116 -1.927 5.334 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.080 -0.179 5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.182 -0.226 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.106 0.311 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.340 2.623 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.492 1.353 2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.003 5.002 5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.157 3.731 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.414 5.527 3.130 1.00 0.00 H new ATOM 1048 N ARG A 68 -0.822 1.524 6.800 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.571 2.452 7.889 1.00 0.00 C ATOM 1050 C ARG A 68 -0.559 3.891 7.369 1.00 0.00 C ATOM 1051 O ARG A 68 -0.944 4.816 8.084 1.00 0.00 O ATOM 1052 CB ARG A 68 0.766 2.153 8.570 1.00 0.00 C ATOM 1053 CG ARG A 68 0.709 0.828 9.333 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.077 0.981 10.638 1.00 0.00 C ATOM 1055 NE ARG A 68 0.801 1.529 11.696 1.00 0.00 N ATOM 1056 CZ ARG A 68 0.417 1.722 12.965 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -0.831 1.413 13.342 1.00 0.00 N ATOM 1058 NH2 ARG A 68 1.281 2.224 13.857 1.00 0.00 N ATOM 0 H ARG A 68 -0.090 1.492 6.090 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.373 2.332 8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.558 2.112 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.017 2.961 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.242 0.065 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.721 0.486 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.930 1.642 10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.475 0.015 10.948 1.00 0.00 H new ATOM 0 HE ARG A 68 1.758 1.775 11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.489 1.031 12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.123 1.560 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.231 2.459 13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.989 2.371 14.823 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.115 4.035 6.130 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.049 5.346 5.506 1.00 0.00 C ATOM 1074 C ALA A 69 0.413 5.193 4.055 1.00 0.00 C ATOM 1075 O ALA A 69 1.209 4.309 3.743 1.00 0.00 O ATOM 1076 CB ALA A 69 0.877 6.253 6.320 1.00 0.00 C ATOM 0 H ALA A 69 0.203 3.266 5.541 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.033 5.814 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.927 7.236 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.489 6.353 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.875 5.817 6.354 1.00 0.00 H new ATOM 1082 N LEU A 70 -0.107 6.068 3.207 1.00 0.00 N ATOM 1083 CA LEU A 70 0.242 6.041 1.797 1.00 0.00 C ATOM 1084 C LEU A 70 1.414 6.993 1.547 1.00 0.00 C ATOM 1085 O LEU A 70 1.481 8.069 2.139 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.987 6.340 0.935 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.794 6.209 -0.577 1.00 0.00 C ATOM 1088 CD1 LEU A 70 0.019 7.381 -1.130 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.168 4.859 -0.935 1.00 0.00 C ATOM 0 H LEU A 70 -0.767 6.800 3.469 1.00 0.00 H new ATOM 0 HA LEU A 70 0.573 5.044 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.791 5.669 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.320 7.355 1.152 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.775 6.246 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.141 7.263 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.503 8.315 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.999 7.401 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.042 4.792 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.804 4.768 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.820 4.054 -0.595 1.00 0.00 H new ATOM 1101 N TYR A 71 2.308 6.561 0.670 1.00 0.00 N ATOM 1102 CA TYR A 71 3.474 7.361 0.336 1.00 0.00 C ATOM 1103 C TYR A 71 3.739 7.340 -1.171 1.00 0.00 C ATOM 1104 O TYR A 71 3.098 6.592 -1.908 1.00 0.00 O ATOM 1105 CB TYR A 71 4.655 6.710 1.058 1.00 0.00 C ATOM 1106 CG TYR A 71 4.850 7.196 2.495 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.055 6.698 3.507 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.822 8.134 2.780 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.239 7.156 4.860 1.00 0.00 C ATOM 1110 CE2 TYR A 71 6.006 8.592 4.133 1.00 0.00 C ATOM 1111 CZ TYR A 71 5.205 8.081 5.106 1.00 0.00 C ATOM 1112 OH TYR A 71 5.378 8.513 6.384 1.00 0.00 O ATOM 0 H TYR A 71 2.249 5.668 0.181 1.00 0.00 H new ATOM 0 HA TYR A 71 3.324 8.399 0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.511 5.630 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.566 6.906 0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.294 5.964 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.444 8.524 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.624 6.774 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.763 9.325 4.370 1.00 0.00 H new ATOM 0 HH TYR A 71 6.329 8.474 6.617 1.00 0.00 H new ATOM 1122 N THR A 72 4.685 8.170 -1.585 1.00 0.00 N ATOM 1123 CA THR A 72 5.043 8.257 -2.991 1.00 0.00 C ATOM 1124 C THR A 72 6.557 8.122 -3.165 1.00 0.00 C ATOM 1125 O THR A 72 7.327 8.765 -2.453 1.00 0.00 O ATOM 1126 CB THR A 72 4.482 9.569 -3.542 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.643 10.493 -2.469 1.00 0.00 O ATOM 1128 CG2 THR A 72 2.969 9.512 -3.761 1.00 0.00 C ATOM 0 H THR A 72 5.215 8.789 -0.971 1.00 0.00 H new ATOM 0 HA THR A 72 4.608 7.437 -3.561 1.00 0.00 H new ATOM 0 HB THR A 72 4.976 9.808 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.306 11.372 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.622 10.468 -4.153 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.734 8.721 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.472 9.306 -2.813 1.00 0.00 H new ATOM 1136 N LEU A 73 6.939 7.283 -4.116 1.00 0.00 N ATOM 1137 CA LEU A 73 8.348 7.056 -4.392 1.00 0.00 C ATOM 1138 C LEU A 73 8.838 8.094 -5.404 1.00 0.00 C ATOM 1139 O LEU A 73 8.163 8.367 -6.395 1.00 0.00 O ATOM 1140 CB LEU A 73 8.581 5.610 -4.834 1.00 0.00 C ATOM 1141 CG LEU A 73 10.018 5.249 -5.216 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.012 5.799 -4.193 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.171 3.739 -5.409 1.00 0.00 C ATOM 0 H LEU A 73 6.298 6.752 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 73 8.940 7.188 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.263 4.949 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.936 5.404 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 73 10.246 5.721 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.026 5.528 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.925 6.885 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.795 5.377 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.202 3.509 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.917 3.226 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.504 3.404 -6.203 1.00 0.00 H new ATOM 1155 N SER A 74 10.008 8.645 -5.118 1.00 0.00 N ATOM 1156 CA SER A 74 10.597 9.647 -5.991 1.00 0.00 C ATOM 1157 C SER A 74 11.403 8.967 -7.099 1.00 0.00 C ATOM 1158 O SER A 74 12.436 8.353 -6.833 1.00 0.00 O ATOM 1159 CB SER A 74 11.486 10.610 -5.202 1.00 0.00 C ATOM 1160 OG SER A 74 11.107 11.970 -5.400 1.00 0.00 O ATOM 0 H SER A 74 10.564 8.417 -4.294 1.00 0.00 H new ATOM 0 HA SER A 74 9.790 10.226 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.429 10.369 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.524 10.475 -5.505 1.00 0.00 H new ATOM 0 HG SER A 74 11.459 12.518 -4.667 1.00 0.00 H new ATOM 1166 N GLY A 75 10.902 9.100 -8.318 1.00 0.00 N ATOM 1167 CA GLY A 75 11.563 8.506 -9.468 1.00 0.00 C ATOM 1168 C GLY A 75 12.972 9.075 -9.645 1.00 0.00 C ATOM 1169 O GLY A 75 13.816 8.462 -10.297 1.00 0.00 O ATOM 0 H GLY A 75 10.046 9.610 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.617 7.425 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.976 8.694 -10.367 1.00 0.00 H new ATOM 1173 N GLU A 76 13.183 10.241 -9.052 1.00 0.00 N ATOM 1174 CA GLU A 76 14.476 10.900 -9.136 1.00 0.00 C ATOM 1175 C GLU A 76 15.491 10.193 -8.236 1.00 0.00 C ATOM 1176 O GLU A 76 16.686 10.188 -8.527 1.00 0.00 O ATOM 1177 CB GLU A 76 14.360 12.382 -8.773 1.00 0.00 C ATOM 1178 CG GLU A 76 14.004 12.559 -7.296 1.00 0.00 C ATOM 1179 CD GLU A 76 12.701 13.346 -7.136 1.00 0.00 C ATOM 1180 OE1 GLU A 76 11.857 13.237 -8.052 1.00 0.00 O ATOM 1181 OE2 GLU A 76 12.579 14.037 -6.102 1.00 0.00 O ATOM 0 H GLU A 76 12.481 10.746 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 76 14.828 10.838 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.302 12.887 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.598 12.853 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.903 11.582 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.813 13.080 -6.783 1.00 0.00 H new ATOM 1188 N THR A 77 14.978 9.614 -7.160 1.00 0.00 N ATOM 1189 CA THR A 77 15.826 8.906 -6.216 1.00 0.00 C ATOM 1190 C THR A 77 15.207 7.554 -5.854 1.00 0.00 C ATOM 1191 O THR A 77 14.472 6.971 -6.649 1.00 0.00 O ATOM 1192 CB THR A 77 16.049 9.816 -5.006 1.00 0.00 C ATOM 1193 OG1 THR A 77 14.745 9.988 -4.456 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.473 11.230 -5.407 1.00 0.00 C ATOM 0 H THR A 77 13.986 9.621 -6.921 1.00 0.00 H new ATOM 0 HA THR A 77 16.798 8.677 -6.652 1.00 0.00 H new ATOM 0 HB THR A 77 16.809 9.379 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.797 10.564 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.618 11.834 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.406 11.185 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.698 11.680 -6.027 1.00 0.00 H new ATOM 1202 N GLU A 78 15.527 7.096 -4.653 1.00 0.00 N ATOM 1203 CA GLU A 78 15.012 5.824 -4.175 1.00 0.00 C ATOM 1204 C GLU A 78 14.192 6.028 -2.900 1.00 0.00 C ATOM 1205 O GLU A 78 13.558 5.095 -2.409 1.00 0.00 O ATOM 1206 CB GLU A 78 16.147 4.824 -3.944 1.00 0.00 C ATOM 1207 CG GLU A 78 17.020 4.687 -5.193 1.00 0.00 C ATOM 1208 CD GLU A 78 18.157 3.690 -4.960 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.825 3.826 -3.912 1.00 0.00 O ATOM 1210 OE2 GLU A 78 18.334 2.816 -5.835 1.00 0.00 O ATOM 0 H GLU A 78 16.137 7.583 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 78 14.357 5.409 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.758 5.150 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.732 3.852 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.409 4.358 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.433 5.659 -5.461 1.00 0.00 H new ATOM 1217 N GLU A 79 14.232 7.254 -2.399 1.00 0.00 N ATOM 1218 CA GLU A 79 13.501 7.593 -1.190 1.00 0.00 C ATOM 1219 C GLU A 79 12.025 7.833 -1.512 1.00 0.00 C ATOM 1220 O GLU A 79 11.666 8.059 -2.667 1.00 0.00 O ATOM 1221 CB GLU A 79 14.117 8.811 -0.500 1.00 0.00 C ATOM 1222 CG GLU A 79 15.460 8.457 0.142 1.00 0.00 C ATOM 1223 CD GLU A 79 16.530 8.214 -0.925 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.793 9.165 -1.692 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.061 7.083 -0.948 1.00 0.00 O ATOM 0 H GLU A 79 14.759 8.025 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 79 13.570 6.752 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.257 9.612 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.433 9.186 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.776 9.265 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.348 7.566 0.760 1.00 0.00 H new ATOM 1232 N LEU A 80 11.208 7.776 -0.470 1.00 0.00 N ATOM 1233 CA LEU A 80 9.779 7.985 -0.628 1.00 0.00 C ATOM 1234 C LEU A 80 9.410 9.374 -0.103 1.00 0.00 C ATOM 1235 O LEU A 80 10.286 10.157 0.261 1.00 0.00 O ATOM 1236 CB LEU A 80 8.995 6.850 0.034 1.00 0.00 C ATOM 1237 CG LEU A 80 9.091 5.483 -0.646 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.579 4.415 0.335 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.761 5.099 -1.296 1.00 0.00 C ATOM 0 H LEU A 80 11.509 7.588 0.486 1.00 0.00 H new ATOM 0 HA LEU A 80 9.505 7.959 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.342 6.747 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.945 7.138 0.079 1.00 0.00 H new ATOM 0 HG LEU A 80 9.831 5.550 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.638 3.453 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.565 4.689 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.882 4.342 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.857 4.123 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.983 5.056 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.494 5.844 -2.046 1.00 0.00 H new ATOM 1251 N SER A 81 8.111 9.638 -0.082 1.00 0.00 N ATOM 1252 CA SER A 81 7.616 10.919 0.392 1.00 0.00 C ATOM 1253 C SER A 81 6.250 10.738 1.058 1.00 0.00 C ATOM 1254 O SER A 81 5.373 10.069 0.513 1.00 0.00 O ATOM 1255 CB SER A 81 7.518 11.929 -0.753 1.00 0.00 C ATOM 1256 OG SER A 81 6.923 13.155 -0.334 1.00 0.00 O ATOM 0 H SER A 81 7.387 8.987 -0.386 1.00 0.00 H new ATOM 0 HA SER A 81 8.322 11.309 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.514 12.126 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.931 11.500 -1.565 1.00 0.00 H new ATOM 0 HG SER A 81 6.880 13.774 -1.093 1.00 0.00 H new ATOM 1262 N ARG A 82 6.113 11.345 2.228 1.00 0.00 N ATOM 1263 CA ARG A 82 4.869 11.259 2.974 1.00 0.00 C ATOM 1264 C ARG A 82 3.742 11.957 2.210 1.00 0.00 C ATOM 1265 O ARG A 82 3.758 13.177 2.051 1.00 0.00 O ATOM 1266 CB ARG A 82 5.011 11.899 4.357 1.00 0.00 C ATOM 1267 CG ARG A 82 3.641 12.247 4.943 1.00 0.00 C ATOM 1268 CD ARG A 82 3.692 12.278 6.472 1.00 0.00 C ATOM 1269 NE ARG A 82 3.753 10.899 7.005 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.750 10.014 6.917 1.00 0.00 C ATOM 1271 NH1 ARG A 82 1.603 10.360 6.317 1.00 0.00 N ATOM 1272 NH2 ARG A 82 2.894 8.785 7.430 1.00 0.00 N ATOM 0 H ARG A 82 6.843 11.898 2.677 1.00 0.00 H new ATOM 0 HA ARG A 82 4.629 10.203 3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.534 11.216 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.619 12.801 4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.316 13.217 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.904 11.514 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.563 12.844 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.812 12.789 6.863 1.00 0.00 H new ATOM 0 HE ARG A 82 4.612 10.603 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.493 11.296 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.839 9.687 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.767 8.522 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.131 8.112 7.363 1.00 0.00 H new ATOM 1286 N LEU A 83 2.791 11.153 1.757 1.00 0.00 N ATOM 1287 CA LEU A 83 1.659 11.678 1.013 1.00 0.00 C ATOM 1288 C LEU A 83 0.516 11.986 1.983 1.00 0.00 C ATOM 1289 O LEU A 83 0.004 13.104 2.010 1.00 0.00 O ATOM 1290 CB LEU A 83 1.268 10.721 -0.114 1.00 0.00 C ATOM 1291 CG LEU A 83 0.121 11.180 -1.016 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.475 12.484 -1.733 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.280 10.077 -1.998 1.00 0.00 C ATOM 0 H LEU A 83 2.781 10.142 1.891 1.00 0.00 H new ATOM 0 HA LEU A 83 1.925 12.616 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.146 10.546 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.995 9.763 0.328 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.746 11.383 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.358 12.788 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.672 13.262 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.363 12.332 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.097 10.430 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.574 9.819 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.603 9.196 -1.443 1.00 0.00 H new ATOM 1305 N ALA A 84 0.150 10.974 2.756 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.923 11.122 3.725 1.00 0.00 C ATOM 1307 C ALA A 84 -0.887 9.947 4.703 1.00 0.00 C ATOM 1308 O ALA A 84 -0.491 8.841 4.336 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.262 11.230 2.991 1.00 0.00 C ATOM 0 H ALA A 84 0.577 10.048 2.731 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.794 12.036 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.067 11.341 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.246 12.097 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.427 10.328 2.401 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.306 10.225 5.929 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.326 9.205 6.963 1.00 0.00 C ATOM 1317 C GLY A 85 -0.493 9.633 8.173 1.00 0.00 C ATOM 1318 O GLY A 85 -0.429 10.817 8.499 1.00 0.00 O ATOM 0 H GLY A 85 -1.634 11.143 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.354 9.017 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.937 8.269 6.563 1.00 0.00 H new ATOM 1322 N TYR A 86 0.124 8.646 8.805 1.00 0.00 N ATOM 1323 CA TYR A 86 0.950 8.906 9.972 1.00 0.00 C ATOM 1324 C TYR A 86 2.229 8.067 9.936 1.00 0.00 C ATOM 1325 O TYR A 86 2.173 6.849 9.771 1.00 0.00 O ATOM 1326 CB TYR A 86 0.114 8.486 11.183 1.00 0.00 C ATOM 1327 CG TYR A 86 -1.067 9.414 11.475 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -0.849 10.759 11.699 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.350 8.907 11.514 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.960 11.632 11.974 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -3.461 9.781 11.790 1.00 0.00 C ATOM 1332 CZ TYR A 86 -3.212 11.100 12.006 1.00 0.00 C ATOM 1333 OH TYR A 86 -4.261 11.925 12.265 1.00 0.00 O ATOM 0 H TYR A 86 0.069 7.665 8.531 1.00 0.00 H new ATOM 0 HA TYR A 86 1.242 9.955 10.009 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.262 7.476 11.019 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.759 8.448 12.061 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.155 11.156 11.668 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.521 7.855 11.338 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.803 12.686 12.151 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.470 9.397 11.825 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.094 11.408 12.255 1.00 0.00 H new ATOM 1343 N GLY A 87 3.352 8.752 10.093 1.00 0.00 N ATOM 1344 CA GLY A 87 4.643 8.086 10.080 1.00 0.00 C ATOM 1345 C GLY A 87 5.767 9.073 9.759 1.00 0.00 C ATOM 1346 O GLY A 87 5.613 10.278 9.952 1.00 0.00 O ATOM 0 H GLY A 87 3.395 9.762 10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.827 7.623 11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.635 7.285 9.341 1.00 0.00 H new ATOM 1350 N PRO A 88 6.901 8.511 9.261 1.00 0.00 N ATOM 1351 CA PRO A 88 8.050 9.329 8.911 1.00 0.00 C ATOM 1352 C PRO A 88 7.808 10.083 7.602 1.00 0.00 C ATOM 1353 O PRO A 88 7.542 9.471 6.569 1.00 0.00 O ATOM 1354 CB PRO A 88 9.215 8.356 8.829 1.00 0.00 C ATOM 1355 CG PRO A 88 8.595 6.976 8.678 1.00 0.00 C ATOM 1356 CD PRO A 88 7.119 7.088 9.019 1.00 0.00 C ATOM 0 HA PRO A 88 8.250 10.109 9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.860 8.589 7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.833 8.411 9.725 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.725 6.609 7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.086 6.262 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.495 6.725 8.202 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.870 6.494 9.898 1.00 0.00 H new ATOM 1364 N ARG A 89 7.908 11.402 7.689 1.00 0.00 N ATOM 1365 CA ARG A 89 7.703 12.246 6.524 1.00 0.00 C ATOM 1366 C ARG A 89 8.254 11.563 5.270 1.00 0.00 C ATOM 1367 O ARG A 89 7.571 11.487 4.250 1.00 0.00 O ATOM 1368 CB ARG A 89 8.388 13.603 6.700 1.00 0.00 C ATOM 1369 CG ARG A 89 8.066 14.535 5.530 1.00 0.00 C ATOM 1370 CD ARG A 89 7.902 15.979 6.009 1.00 0.00 C ATOM 1371 NE ARG A 89 8.585 16.902 5.076 1.00 0.00 N ATOM 1372 CZ ARG A 89 9.891 17.196 5.132 1.00 0.00 C ATOM 1373 NH1 ARG A 89 10.664 16.641 6.076 1.00 0.00 N ATOM 1374 NH2 ARG A 89 10.425 18.045 4.243 1.00 0.00 N ATOM 0 H ARG A 89 8.128 11.906 8.548 1.00 0.00 H new ATOM 0 HA ARG A 89 6.630 12.405 6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.062 14.060 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.467 13.463 6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.863 14.482 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.151 14.205 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.844 16.231 6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.318 16.088 7.011 1.00 0.00 H new ATOM 0 HE ARG A 89 8.027 17.342 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.258 15.994 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.658 16.865 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.837 18.467 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.419 18.269 4.285 1.00 0.00 H new ATOM 1388 N THR A 90 9.483 11.084 5.387 1.00 0.00 N ATOM 1389 CA THR A 90 10.133 10.410 4.276 1.00 0.00 C ATOM 1390 C THR A 90 10.525 8.985 4.672 1.00 0.00 C ATOM 1391 O THR A 90 10.454 8.621 5.844 1.00 0.00 O ATOM 1392 CB THR A 90 11.322 11.267 3.834 1.00 0.00 C ATOM 1393 OG1 THR A 90 10.730 12.310 3.064 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.230 10.539 2.841 1.00 0.00 C ATOM 0 H THR A 90 10.047 11.149 6.235 1.00 0.00 H new ATOM 0 HA THR A 90 9.457 10.303 3.428 1.00 0.00 H new ATOM 0 HB THR A 90 11.903 11.562 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.430 12.914 2.739 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.057 11.190 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.622 9.633 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.658 10.274 1.952 1.00 0.00 H new ATOM 1402 N VAL A 91 10.930 8.218 3.671 1.00 0.00 N ATOM 1403 CA VAL A 91 11.333 6.841 3.899 1.00 0.00 C ATOM 1404 C VAL A 91 12.388 6.444 2.864 1.00 0.00 C ATOM 1405 O VAL A 91 12.178 6.611 1.664 1.00 0.00 O ATOM 1406 CB VAL A 91 10.106 5.927 3.883 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.519 4.454 3.932 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.154 6.267 5.031 1.00 0.00 C ATOM 0 H VAL A 91 10.988 8.524 2.700 1.00 0.00 H new ATOM 0 HA VAL A 91 11.788 6.735 4.884 1.00 0.00 H new ATOM 0 HB VAL A 91 9.575 6.096 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.628 3.826 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.139 4.221 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.084 4.265 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.290 5.603 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.671 6.141 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.821 7.300 4.934 1.00 0.00 H new ATOM 1418 N THR A 92 13.499 5.926 3.367 1.00 0.00 N ATOM 1419 CA THR A 92 14.587 5.504 2.501 1.00 0.00 C ATOM 1420 C THR A 92 14.554 3.987 2.305 1.00 0.00 C ATOM 1421 O THR A 92 13.899 3.273 3.062 1.00 0.00 O ATOM 1422 CB THR A 92 15.897 6.010 3.108 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.160 5.101 4.173 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.736 7.364 3.803 1.00 0.00 C ATOM 0 H THR A 92 13.669 5.789 4.363 1.00 0.00 H new ATOM 0 HA THR A 92 14.488 5.931 1.503 1.00 0.00 H new ATOM 0 HB THR A 92 16.652 6.092 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.994 5.354 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.695 7.677 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.393 8.105 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.006 7.276 4.607 1.00 0.00 H new ATOM 1432 N PRO A 93 15.289 3.528 1.256 1.00 0.00 N ATOM 1433 CA PRO A 93 15.350 2.109 0.950 1.00 0.00 C ATOM 1434 C PRO A 93 16.247 1.371 1.946 1.00 0.00 C ATOM 1435 O PRO A 93 16.305 0.143 1.943 1.00 0.00 O ATOM 1436 CB PRO A 93 15.864 2.037 -0.479 1.00 0.00 C ATOM 1437 CG PRO A 93 16.510 3.384 -0.758 1.00 0.00 C ATOM 1438 CD PRO A 93 16.077 4.344 0.338 1.00 0.00 C ATOM 0 HA PRO A 93 14.381 1.618 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.584 1.227 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.050 1.842 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.596 3.290 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.206 3.758 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 93 16.938 4.786 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.487 5.167 -0.066 1.00 0.00 H new ATOM 1446 N ALA A 94 16.924 2.153 2.775 1.00 0.00 N ATOM 1447 CA ALA A 94 17.816 1.589 3.774 1.00 0.00 C ATOM 1448 C ALA A 94 17.009 1.222 5.021 1.00 0.00 C ATOM 1449 O ALA A 94 17.456 0.421 5.841 1.00 0.00 O ATOM 1450 CB ALA A 94 18.937 2.584 4.077 1.00 0.00 C ATOM 0 H ALA A 94 16.873 3.172 2.775 1.00 0.00 H new ATOM 0 HA ALA A 94 18.282 0.677 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.606 2.161 4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.497 2.790 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.508 3.511 4.456 1.00 0.00 H new ATOM 1456 N MET A 95 15.834 1.825 5.126 1.00 0.00 N ATOM 1457 CA MET A 95 14.961 1.572 6.260 1.00 0.00 C ATOM 1458 C MET A 95 13.959 0.460 5.942 1.00 0.00 C ATOM 1459 O MET A 95 13.493 -0.236 6.843 1.00 0.00 O ATOM 1460 CB MET A 95 14.206 2.853 6.619 1.00 0.00 C ATOM 1461 CG MET A 95 15.065 3.769 7.493 1.00 0.00 C ATOM 1462 SD MET A 95 14.028 4.691 8.616 1.00 0.00 S ATOM 1463 CE MET A 95 12.589 4.927 7.585 1.00 0.00 C ATOM 0 H MET A 95 15.466 2.488 4.444 1.00 0.00 H new ATOM 0 HA MET A 95 15.574 1.253 7.103 1.00 0.00 H new ATOM 0 HB2 MET A 95 13.919 3.378 5.708 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.285 2.601 7.145 1.00 0.00 H new ATOM 0 HG2 MET A 95 15.787 3.177 8.055 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.635 4.454 6.865 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.990 5.748 7.979 1.00 0.00 H new ATOM 0 HE2 MET A 95 12.904 5.163 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.993 4.014 7.578 1.00 0.00 H new ATOM 1473 N VAL A 96 13.657 0.329 4.659 1.00 0.00 N ATOM 1474 CA VAL A 96 12.718 -0.686 4.211 1.00 0.00 C ATOM 1475 C VAL A 96 13.264 -2.071 4.566 1.00 0.00 C ATOM 1476 O VAL A 96 14.431 -2.366 4.313 1.00 0.00 O ATOM 1477 CB VAL A 96 12.440 -0.519 2.716 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.647 -0.952 1.882 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.183 -1.287 2.303 1.00 0.00 C ATOM 0 H VAL A 96 14.046 0.909 3.915 1.00 0.00 H new ATOM 0 HA VAL A 96 11.761 -0.572 4.720 1.00 0.00 H new ATOM 0 HB VAL A 96 12.263 0.539 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.423 -0.823 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.510 -0.341 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.869 -2.000 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.008 -1.152 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.318 -2.347 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.326 -0.910 2.862 1.00 0.00 H new ATOM 1489 N GLU A 97 12.394 -2.884 5.147 1.00 0.00 N ATOM 1490 CA GLU A 97 12.773 -4.230 5.539 1.00 0.00 C ATOM 1491 C GLU A 97 12.436 -5.223 4.425 1.00 0.00 C ATOM 1492 O GLU A 97 13.303 -5.966 3.968 1.00 0.00 O ATOM 1493 CB GLU A 97 12.098 -4.630 6.852 1.00 0.00 C ATOM 1494 CG GLU A 97 12.544 -6.024 7.296 1.00 0.00 C ATOM 1495 CD GLU A 97 11.500 -6.670 8.209 1.00 0.00 C ATOM 1496 OE1 GLU A 97 11.139 -6.015 9.211 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.085 -7.803 7.885 1.00 0.00 O ATOM 0 H GLU A 97 11.427 -2.636 5.356 1.00 0.00 H new ATOM 0 HA GLU A 97 13.851 -4.249 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.342 -3.903 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.015 -4.613 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.706 -6.653 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.497 -5.955 7.820 1.00 0.00 H new ATOM 1504 N GLY A 98 11.175 -5.202 4.020 1.00 0.00 N ATOM 1505 CA GLY A 98 10.712 -6.091 2.967 1.00 0.00 C ATOM 1506 C GLY A 98 9.832 -5.343 1.965 1.00 0.00 C ATOM 1507 O GLY A 98 9.046 -4.477 2.348 1.00 0.00 O ATOM 0 H GLY A 98 10.459 -4.584 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.568 -6.526 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.150 -6.917 3.404 1.00 0.00 H new ATOM 1511 N ILE A 99 9.993 -5.703 0.700 1.00 0.00 N ATOM 1512 CA ILE A 99 9.222 -5.076 -0.361 1.00 0.00 C ATOM 1513 C ILE A 99 8.335 -6.128 -1.031 1.00 0.00 C ATOM 1514 O ILE A 99 8.656 -7.315 -1.017 1.00 0.00 O ATOM 1515 CB ILE A 99 10.147 -4.342 -1.333 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.496 -5.056 -1.451 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.308 -2.874 -0.934 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.329 -4.468 -2.592 1.00 0.00 C ATOM 0 H ILE A 99 10.646 -6.421 0.386 1.00 0.00 H new ATOM 0 HA ILE A 99 8.559 -4.314 0.049 1.00 0.00 H new ATOM 0 HB ILE A 99 9.687 -4.358 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.043 -4.965 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.335 -6.120 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.970 -2.375 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.334 -2.386 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.735 -2.814 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.282 -4.993 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.790 -4.582 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.509 -3.410 -2.403 1.00 0.00 H new ATOM 1530 N TYR A 100 7.238 -5.653 -1.601 1.00 0.00 N ATOM 1531 CA TYR A 100 6.302 -6.537 -2.275 1.00 0.00 C ATOM 1532 C TYR A 100 5.733 -5.878 -3.533 1.00 0.00 C ATOM 1533 O TYR A 100 5.882 -4.673 -3.727 1.00 0.00 O ATOM 1534 CB TYR A 100 5.164 -6.782 -1.283 1.00 0.00 C ATOM 1535 CG TYR A 100 5.633 -7.190 0.115 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.158 -6.242 0.971 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.533 -8.505 0.521 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.600 -6.626 2.286 1.00 0.00 C ATOM 1539 CE2 TYR A 100 5.975 -8.889 1.836 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.486 -7.930 2.654 1.00 0.00 C ATOM 1541 OH TYR A 100 6.904 -8.293 3.897 1.00 0.00 O ATOM 0 H TYR A 100 6.976 -4.667 -1.610 1.00 0.00 H new ATOM 0 HA TYR A 100 6.797 -7.459 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.564 -5.876 -1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.513 -7.562 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.237 -5.213 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.123 -9.247 -0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.013 -5.895 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.903 -9.915 2.165 1.00 0.00 H new ATOM 0 HH TYR A 100 6.761 -9.254 4.022 1.00 0.00 H new ATOM 1551 N LYS A 101 5.095 -6.698 -4.355 1.00 0.00 N ATOM 1552 CA LYS A 101 4.503 -6.209 -5.589 1.00 0.00 C ATOM 1553 C LYS A 101 2.997 -6.480 -5.569 1.00 0.00 C ATOM 1554 O LYS A 101 2.482 -7.076 -4.624 1.00 0.00 O ATOM 1555 CB LYS A 101 5.220 -6.808 -6.800 1.00 0.00 C ATOM 1556 CG LYS A 101 4.937 -8.307 -6.920 1.00 0.00 C ATOM 1557 CD LYS A 101 6.231 -9.118 -6.824 1.00 0.00 C ATOM 1558 CE LYS A 101 6.481 -9.906 -8.111 1.00 0.00 C ATOM 1559 NZ LYS A 101 7.911 -9.843 -8.488 1.00 0.00 N ATOM 0 H LYS A 101 4.975 -7.698 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 101 4.632 -5.130 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.895 -6.299 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.294 -6.643 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.251 -8.616 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.444 -8.513 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.070 -8.449 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.173 -9.804 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.181 -10.945 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.868 -9.502 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.063 -10.383 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.187 -8.852 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.489 -10.250 -7.725 1.00 0.00 H new ATOM 1573 N TYR A 102 2.334 -6.030 -6.624 1.00 0.00 N ATOM 1574 CA TYR A 102 0.897 -6.216 -6.740 1.00 0.00 C ATOM 1575 C TYR A 102 0.545 -6.981 -8.017 1.00 0.00 C ATOM 1576 O TYR A 102 0.769 -6.488 -9.122 1.00 0.00 O ATOM 1577 CB TYR A 102 0.295 -4.812 -6.818 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.231 -4.795 -6.924 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.850 -5.278 -8.058 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -1.989 -4.295 -5.884 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.287 -5.262 -8.157 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.426 -4.279 -5.983 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.004 -4.763 -7.115 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.360 -4.747 -7.208 1.00 0.00 O ATOM 0 H TYR A 102 2.765 -5.537 -7.406 1.00 0.00 H new ATOM 0 HA TYR A 102 0.514 -6.788 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.594 -4.250 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.715 -4.295 -7.681 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.257 -5.668 -8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.505 -3.916 -4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.784 -5.638 -9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.031 -3.891 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.730 -5.518 -6.730 1.00 0.00 H new ATOM 1594 N ASN A 103 0.000 -8.173 -7.824 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.385 -9.011 -8.947 1.00 0.00 C ATOM 1596 C ASN A 103 -1.711 -8.509 -9.521 1.00 0.00 C ATOM 1597 O ASN A 103 -2.775 -8.786 -8.970 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.580 -10.464 -8.508 1.00 0.00 C ATOM 1599 CG ASN A 103 0.695 -11.280 -8.731 1.00 0.00 C ATOM 1600 OD1 ASN A 103 1.628 -11.090 -7.802 1.00 0.00 O flip ATOM 1601 ND2 ASN A 103 0.823 -12.031 -9.683 1.00 0.00 N flip ATOM 0 H ASN A 103 -0.184 -8.579 -6.906 1.00 0.00 H new ATOM 0 HA ASN A 103 0.409 -8.962 -9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.856 -10.495 -7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.403 -10.909 -9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.066 -12.130 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.687 -12.560 -9.803 1.00 0.00 H new ATOM 1608 N SER A 104 -1.604 -7.778 -10.621 1.00 0.00 N ATOM 1609 CA SER A 104 -2.781 -7.234 -11.276 1.00 0.00 C ATOM 1610 C SER A 104 -3.382 -8.276 -12.222 1.00 0.00 C ATOM 1611 O SER A 104 -4.278 -7.965 -13.005 1.00 0.00 O ATOM 1612 CB SER A 104 -2.443 -5.954 -12.043 1.00 0.00 C ATOM 1613 OG SER A 104 -2.940 -4.791 -11.387 1.00 0.00 O ATOM 0 H SER A 104 -0.720 -7.550 -11.075 1.00 0.00 H new ATOM 0 HA SER A 104 -3.514 -6.983 -10.509 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.362 -5.873 -12.154 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.863 -6.011 -13.047 1.00 0.00 H new ATOM 0 HG SER A 104 -2.821 -4.886 -10.419 1.00 0.00 H new ATOM 1619 N ASP A 105 -2.866 -9.492 -12.116 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.340 -10.582 -12.952 1.00 0.00 C ATOM 1621 C ASP A 105 -3.998 -11.645 -12.071 1.00 0.00 C ATOM 1622 O ASP A 105 -4.996 -12.249 -12.461 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.184 -11.241 -13.706 1.00 0.00 C ATOM 1624 CG ASP A 105 -1.903 -10.662 -15.094 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -1.802 -9.419 -15.180 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -1.795 -11.475 -16.037 1.00 0.00 O ATOM 0 H ASP A 105 -2.124 -9.746 -11.464 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.051 -10.172 -13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.280 -11.154 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.397 -12.305 -13.809 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.412 -11.843 -10.899 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.928 -12.823 -9.959 1.00 0.00 C ATOM 1633 C ARG A 106 -4.671 -12.125 -8.819 1.00 0.00 C ATOM 1634 O ARG A 106 -5.278 -12.782 -7.974 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.800 -13.676 -9.377 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.609 -14.960 -10.186 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.600 -16.187 -9.272 1.00 0.00 C ATOM 1638 NE ARG A 106 -2.202 -17.388 -10.041 1.00 0.00 N ATOM 1639 CZ ARG A 106 -3.026 -18.069 -10.849 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -4.297 -17.673 -10.999 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -2.578 -19.147 -11.507 1.00 0.00 N ATOM 0 H ARG A 106 -2.584 -11.341 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.615 -13.472 -10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.872 -13.104 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.026 -13.926 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.410 -15.054 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.672 -14.909 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.908 -16.029 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.589 -16.334 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.241 -17.717 -9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.638 -16.853 -10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.924 -18.192 -11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.610 -19.449 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.205 -19.666 -12.122 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.600 -10.802 -8.831 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.259 -10.007 -7.808 1.00 0.00 C ATOM 1657 C LYS A 107 -4.700 -10.387 -6.435 1.00 0.00 C ATOM 1658 O LYS A 107 -5.446 -10.482 -5.462 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.778 -10.150 -7.914 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.306 -9.466 -9.177 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.804 -9.724 -9.355 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.552 -8.425 -9.662 1.00 0.00 C ATOM 1663 NZ LYS A 107 -11.014 -8.652 -9.644 1.00 0.00 N ATOM 0 H LYS A 107 -4.096 -10.260 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.051 -8.947 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.047 -11.206 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.250 -9.712 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.123 -8.393 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.764 -9.834 -10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.960 -10.437 -10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.209 -10.176 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.287 -7.664 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.249 -8.046 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.506 -7.760 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.264 -9.363 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.301 -8.993 -8.704 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.392 -10.593 -6.401 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.724 -10.960 -5.164 1.00 0.00 C ATOM 1679 C ARG A 108 -1.453 -10.128 -4.979 1.00 0.00 C ATOM 1680 O ARG A 108 -1.208 -9.187 -5.732 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.359 -12.446 -5.155 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.598 -13.317 -5.369 1.00 0.00 C ATOM 1683 CD ARG A 108 -3.602 -14.510 -4.412 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.102 -15.716 -5.109 1.00 0.00 N ATOM 1685 CZ ARG A 108 -4.115 -16.944 -4.571 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -3.655 -17.135 -3.327 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -4.587 -17.980 -5.277 1.00 0.00 N ATOM 0 H ARG A 108 -2.777 -10.513 -7.210 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.414 -10.762 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.628 -12.649 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.889 -12.703 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.497 -12.720 -5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.623 -13.673 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.595 -14.689 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.231 -14.292 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.459 -15.606 -6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.295 -16.346 -2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.665 -18.069 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.937 -17.835 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.597 -18.914 -4.867 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.679 -10.505 -3.973 1.00 0.00 N ATOM 1702 CA PHE A 109 0.561 -9.806 -3.679 1.00 0.00 C ATOM 1703 C PHE A 109 1.741 -10.778 -3.629 1.00 0.00 C ATOM 1704 O PHE A 109 1.590 -11.921 -3.198 1.00 0.00 O ATOM 1705 CB PHE A 109 0.393 -9.155 -2.305 1.00 0.00 C ATOM 1706 CG PHE A 109 0.076 -7.659 -2.360 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.927 -7.205 -3.159 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.797 -6.783 -1.609 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -1.221 -5.816 -3.210 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.503 -5.395 -1.660 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.500 -4.941 -2.459 1.00 0.00 C ATOM 0 H PHE A 109 -0.886 -11.286 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 109 0.765 -9.069 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.406 -9.666 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.308 -9.301 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.500 -7.900 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.593 -7.143 -0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.017 -5.455 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.076 -4.700 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.724 -3.885 -2.497 1.00 0.00 H new ATOM 1721 N THR A 110 2.889 -10.290 -4.075 1.00 0.00 N ATOM 1722 CA THR A 110 4.094 -11.102 -4.086 1.00 0.00 C ATOM 1723 C THR A 110 5.267 -10.322 -3.490 1.00 0.00 C ATOM 1724 O THR A 110 5.228 -9.095 -3.416 1.00 0.00 O ATOM 1725 CB THR A 110 4.339 -11.565 -5.523 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.240 -12.428 -5.802 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.566 -12.470 -5.646 1.00 0.00 C ATOM 0 H THR A 110 3.010 -9.342 -4.432 1.00 0.00 H new ATOM 0 HA THR A 110 3.981 -11.987 -3.460 1.00 0.00 H new ATOM 0 HB THR A 110 4.465 -10.695 -6.168 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.662 -12.014 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.694 -12.770 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.452 -11.929 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.428 -13.357 -5.027 1.00 0.00 H new ATOM 1735 N GLN A 111 6.284 -11.066 -3.081 1.00 0.00 N ATOM 1736 CA GLN A 111 7.467 -10.460 -2.494 1.00 0.00 C ATOM 1737 C GLN A 111 8.508 -10.170 -3.578 1.00 0.00 C ATOM 1738 O GLN A 111 8.506 -10.805 -4.631 1.00 0.00 O ATOM 1739 CB GLN A 111 8.052 -11.351 -1.396 1.00 0.00 C ATOM 1740 CG GLN A 111 8.666 -10.508 -0.276 1.00 0.00 C ATOM 1741 CD GLN A 111 10.138 -10.869 -0.063 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.966 -9.831 -0.145 1.00 0.00 O flip ATOM 1743 NE2 GLN A 111 10.497 -12.013 0.161 1.00 0.00 N flip ATOM 0 H GLN A 111 6.313 -12.084 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 111 7.177 -9.515 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.270 -11.992 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.812 -12.007 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.579 -9.450 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.111 -10.666 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.808 -12.763 0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.486 -12.219 0.299 1.00 0.00 H new ATOM 1752 N ILE A 112 9.372 -9.210 -3.281 1.00 0.00 N ATOM 1753 CA ILE A 112 10.416 -8.829 -4.217 1.00 0.00 C ATOM 1754 C ILE A 112 11.725 -9.515 -3.822 1.00 0.00 C ATOM 1755 O ILE A 112 12.033 -9.638 -2.637 1.00 0.00 O ATOM 1756 CB ILE A 112 10.524 -7.305 -4.307 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.162 -6.645 -4.084 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.158 -6.878 -5.632 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.241 -6.867 -5.286 1.00 0.00 C ATOM 0 H ILE A 112 9.370 -8.685 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 112 10.168 -9.169 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 112 11.183 -6.961 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.699 -7.054 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.295 -5.576 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.223 -5.791 -5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.158 -7.304 -5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.545 -7.234 -6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.280 -6.388 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.696 -6.436 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.090 -7.936 -5.436 1.00 0.00 H new ATOM 1771 N PRO A 113 12.480 -9.957 -4.864 1.00 0.00 N ATOM 1772 CA PRO A 113 13.748 -10.628 -4.637 1.00 0.00 C ATOM 1773 C PRO A 113 14.833 -9.628 -4.230 1.00 0.00 C ATOM 1774 O PRO A 113 15.947 -10.020 -3.889 1.00 0.00 O ATOM 1775 CB PRO A 113 14.056 -11.339 -5.945 1.00 0.00 C ATOM 1776 CG PRO A 113 13.192 -10.666 -6.999 1.00 0.00 C ATOM 1777 CD PRO A 113 12.146 -9.829 -6.279 1.00 0.00 C ATOM 0 HA PRO A 113 13.706 -11.339 -3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.114 -11.255 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.828 -12.403 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.802 -10.039 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.713 -11.412 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.181 -8.788 -6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.139 -10.193 -6.483 1.00 0.00 H new ATOM 1785 N ALA A 114 14.468 -8.355 -4.280 1.00 0.00 N ATOM 1786 CA ALA A 114 15.395 -7.296 -3.921 1.00 0.00 C ATOM 1787 C ALA A 114 14.904 -6.603 -2.649 1.00 0.00 C ATOM 1788 O ALA A 114 13.725 -6.687 -2.308 1.00 0.00 O ATOM 1789 CB ALA A 114 15.541 -6.325 -5.095 1.00 0.00 C ATOM 0 H ALA A 114 13.543 -8.034 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 114 16.383 -7.706 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.237 -5.530 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.921 -6.860 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.569 -5.892 -5.332 1.00 0.00 H new ATOM 1795 N LYS A 115 15.832 -5.933 -1.981 1.00 0.00 N ATOM 1796 CA LYS A 115 15.508 -5.226 -0.754 1.00 0.00 C ATOM 1797 C LYS A 115 15.463 -3.722 -1.034 1.00 0.00 C ATOM 1798 O LYS A 115 15.243 -2.925 -0.124 1.00 0.00 O ATOM 1799 CB LYS A 115 16.479 -5.616 0.361 1.00 0.00 C ATOM 1800 CG LYS A 115 15.834 -6.611 1.328 1.00 0.00 C ATOM 1801 CD LYS A 115 16.735 -7.828 1.544 1.00 0.00 C ATOM 1802 CE LYS A 115 15.907 -9.110 1.662 1.00 0.00 C ATOM 1803 NZ LYS A 115 16.506 -10.024 2.660 1.00 0.00 N ATOM 0 H LYS A 115 16.809 -5.865 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 115 14.519 -5.514 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.378 -6.055 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.790 -4.724 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.641 -6.123 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.870 -6.933 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.435 -7.918 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.328 -7.690 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.885 -8.865 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.853 -9.606 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.932 -10.889 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.473 -10.272 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.535 -9.554 3.587 1.00 0.00 H new ATOM 1817 N THR A 116 15.677 -3.381 -2.296 1.00 0.00 N ATOM 1818 CA THR A 116 15.664 -1.987 -2.707 1.00 0.00 C ATOM 1819 C THR A 116 14.355 -1.655 -3.426 1.00 0.00 C ATOM 1820 O THR A 116 13.599 -2.553 -3.794 1.00 0.00 O ATOM 1821 CB THR A 116 16.908 -1.735 -3.561 1.00 0.00 C ATOM 1822 OG1 THR A 116 17.991 -1.869 -2.646 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.003 -0.286 -4.042 1.00 0.00 C ATOM 0 H THR A 116 15.860 -4.046 -3.048 1.00 0.00 H new ATOM 0 HA THR A 116 15.703 -1.320 -1.846 1.00 0.00 H new ATOM 0 HB THR A 116 16.899 -2.404 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.838 -1.723 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.903 -0.161 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.127 -0.045 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.046 0.381 -3.181 1.00 0.00 H new ATOM 1831 N MET A 117 14.127 -0.362 -3.605 1.00 0.00 N ATOM 1832 CA MET A 117 12.922 0.100 -4.273 1.00 0.00 C ATOM 1833 C MET A 117 12.879 -0.386 -5.724 1.00 0.00 C ATOM 1834 O MET A 117 13.837 -0.985 -6.210 1.00 0.00 O ATOM 1835 CB MET A 117 12.877 1.629 -4.245 1.00 0.00 C ATOM 1836 CG MET A 117 12.196 2.133 -2.971 1.00 0.00 C ATOM 1837 SD MET A 117 10.506 1.562 -2.914 1.00 0.00 S ATOM 1838 CE MET A 117 10.524 0.697 -1.353 1.00 0.00 C ATOM 0 H MET A 117 14.756 0.380 -3.299 1.00 0.00 H new ATOM 0 HA MET A 117 12.058 -0.307 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.890 2.028 -4.302 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.340 1.997 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 117 12.738 1.778 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.221 3.222 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 117 9.572 0.185 -1.209 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.333 -0.034 -1.351 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.678 1.410 -0.543 1.00 0.00 H new ATOM 1848 N SER A 118 11.759 -0.109 -6.374 1.00 0.00 N ATOM 1849 CA SER A 118 11.579 -0.510 -7.759 1.00 0.00 C ATOM 1850 C SER A 118 10.111 -0.354 -8.162 1.00 0.00 C ATOM 1851 O SER A 118 9.215 -0.543 -7.341 1.00 0.00 O ATOM 1852 CB SER A 118 12.039 -1.952 -7.979 1.00 0.00 C ATOM 1853 OG SER A 118 13.403 -2.021 -8.386 1.00 0.00 O ATOM 0 H SER A 118 10.967 0.388 -5.967 1.00 0.00 H new ATOM 0 HA SER A 118 12.192 0.138 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.906 -2.519 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.411 -2.422 -8.736 1.00 0.00 H new ATOM 0 HG SER A 118 13.984 -1.861 -7.613 1.00 0.00 H new ATOM 1859 N MET A 119 9.911 -0.010 -9.426 1.00 0.00 N ATOM 1860 CA MET A 119 8.568 0.173 -9.948 1.00 0.00 C ATOM 1861 C MET A 119 7.759 -1.122 -9.847 1.00 0.00 C ATOM 1862 O MET A 119 6.540 -1.111 -10.016 1.00 0.00 O ATOM 1863 CB MET A 119 8.644 0.615 -11.411 1.00 0.00 C ATOM 1864 CG MET A 119 7.323 1.237 -11.866 1.00 0.00 C ATOM 1865 SD MET A 119 7.514 3.000 -12.065 1.00 0.00 S ATOM 1866 CE MET A 119 7.613 3.496 -10.353 1.00 0.00 C ATOM 0 H MET A 119 10.657 0.147 -10.104 1.00 0.00 H new ATOM 0 HA MET A 119 8.069 0.938 -9.354 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.451 1.337 -11.535 1.00 0.00 H new ATOM 0 HB3 MET A 119 8.883 -0.242 -12.041 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.006 0.789 -12.808 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.542 1.028 -11.135 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.592 4.584 -10.288 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.766 3.083 -9.805 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.542 3.125 -9.920 1.00 0.00 H new ATOM 1876 N SER A 120 8.469 -2.206 -9.573 1.00 0.00 N ATOM 1877 CA SER A 120 7.832 -3.506 -9.448 1.00 0.00 C ATOM 1878 C SER A 120 7.446 -3.761 -7.989 1.00 0.00 C ATOM 1879 O SER A 120 7.350 -4.910 -7.561 1.00 0.00 O ATOM 1880 CB SER A 120 8.749 -4.620 -9.956 1.00 0.00 C ATOM 1881 OG SER A 120 8.742 -4.710 -11.378 1.00 0.00 O ATOM 0 H SER A 120 9.479 -2.211 -9.434 1.00 0.00 H new ATOM 0 HA SER A 120 6.931 -3.506 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.766 -4.439 -9.609 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.432 -5.572 -9.531 1.00 0.00 H new ATOM 0 HG SER A 120 9.341 -5.432 -11.663 1.00 0.00 H new ATOM 1887 N VAL A 121 7.234 -2.670 -7.267 1.00 0.00 N ATOM 1888 CA VAL A 121 6.861 -2.762 -5.866 1.00 0.00 C ATOM 1889 C VAL A 121 5.490 -2.111 -5.665 1.00 0.00 C ATOM 1890 O VAL A 121 5.126 -1.186 -6.390 1.00 0.00 O ATOM 1891 CB VAL A 121 7.952 -2.140 -4.992 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.500 -2.050 -3.533 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.262 -2.920 -5.114 1.00 0.00 C ATOM 0 H VAL A 121 7.313 -1.719 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 121 6.774 -3.805 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 121 8.132 -1.126 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.294 -1.604 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.605 -1.432 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.279 -3.049 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.021 -2.457 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.103 -3.950 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.597 -2.909 -6.151 1.00 0.00 H new ATOM 1903 N ASP A 122 4.769 -2.619 -4.677 1.00 0.00 N ATOM 1904 CA ASP A 122 3.447 -2.099 -4.371 1.00 0.00 C ATOM 1905 C ASP A 122 3.170 -2.268 -2.876 1.00 0.00 C ATOM 1906 O ASP A 122 2.015 -2.297 -2.454 1.00 0.00 O ATOM 1907 CB ASP A 122 2.365 -2.859 -5.141 1.00 0.00 C ATOM 1908 CG ASP A 122 2.081 -2.330 -6.548 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.040 -2.304 -7.349 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.911 -1.965 -6.792 1.00 0.00 O ATOM 0 H ASP A 122 5.075 -3.385 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 122 3.424 -1.048 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.660 -3.906 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.441 -2.829 -4.564 1.00 0.00 H new ATOM 1915 N ALA A 123 4.250 -2.375 -2.115 1.00 0.00 N ATOM 1916 CA ALA A 123 4.138 -2.541 -0.676 1.00 0.00 C ATOM 1917 C ALA A 123 5.538 -2.660 -0.070 1.00 0.00 C ATOM 1918 O ALA A 123 6.419 -3.291 -0.652 1.00 0.00 O ATOM 1919 CB ALA A 123 3.264 -3.758 -0.368 1.00 0.00 C ATOM 0 H ALA A 123 5.207 -2.350 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 123 3.657 -1.673 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.180 -3.882 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.272 -3.611 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.716 -4.650 -0.802 1.00 0.00 H new ATOM 1925 N PHE A 124 5.700 -2.042 1.091 1.00 0.00 N ATOM 1926 CA PHE A 124 6.978 -2.071 1.781 1.00 0.00 C ATOM 1927 C PHE A 124 6.796 -1.838 3.283 1.00 0.00 C ATOM 1928 O PHE A 124 5.865 -1.150 3.699 1.00 0.00 O ATOM 1929 CB PHE A 124 7.826 -0.938 1.201 1.00 0.00 C ATOM 1930 CG PHE A 124 7.381 0.459 1.639 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.117 0.885 1.372 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.249 1.275 2.295 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.704 2.181 1.778 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.836 2.572 2.701 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.572 2.997 2.434 1.00 0.00 C ATOM 0 H PHE A 124 4.968 -1.519 1.571 1.00 0.00 H new ATOM 0 HA PHE A 124 7.451 -3.044 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.864 -1.087 1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.794 -0.994 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.428 0.237 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.252 0.937 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.700 2.519 1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.525 3.220 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.257 3.983 2.743 1.00 0.00 H new ATOM 1945 N THR A 125 7.698 -2.425 4.054 1.00 0.00 N ATOM 1946 CA THR A 125 7.648 -2.291 5.500 1.00 0.00 C ATOM 1947 C THR A 125 9.010 -1.850 6.042 1.00 0.00 C ATOM 1948 O THR A 125 10.018 -2.517 5.814 1.00 0.00 O ATOM 1949 CB THR A 125 7.164 -3.620 6.083 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.152 -4.560 5.670 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.877 -4.115 5.420 1.00 0.00 C ATOM 0 H THR A 125 8.468 -2.995 3.705 1.00 0.00 H new ATOM 0 HA THR A 125 6.946 -1.513 5.800 1.00 0.00 H new ATOM 0 HB THR A 125 7.000 -3.509 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.026 -4.119 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.577 -5.061 5.870 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.087 -3.378 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.049 -4.259 4.353 1.00 0.00 H new ATOM 1959 N ILE A 126 8.995 -0.730 6.749 1.00 0.00 N ATOM 1960 CA ILE A 126 10.215 -0.192 7.325 1.00 0.00 C ATOM 1961 C ILE A 126 10.648 -1.069 8.502 1.00 0.00 C ATOM 1962 O ILE A 126 9.843 -1.821 9.049 1.00 0.00 O ATOM 1963 CB ILE A 126 10.031 1.282 7.692 1.00 0.00 C ATOM 1964 CG1 ILE A 126 8.838 1.468 8.632 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.912 2.149 6.437 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.009 2.721 9.493 1.00 0.00 C ATOM 0 H ILE A 126 8.157 -0.180 6.936 1.00 0.00 H new ATOM 0 HA ILE A 126 11.023 -0.216 6.594 1.00 0.00 H new ATOM 0 HB ILE A 126 10.919 1.614 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.920 1.545 8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 126 8.736 0.593 9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.782 3.192 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.817 2.049 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.052 1.825 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.148 2.830 10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.915 2.630 10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 126 9.086 3.597 8.849 1.00 0.00 H new ATOM 1978 N GLN A 127 11.918 -0.943 8.857 1.00 0.00 N ATOM 1979 CA GLN A 127 12.468 -1.714 9.959 1.00 0.00 C ATOM 1980 C GLN A 127 11.534 -1.650 11.169 1.00 0.00 C ATOM 1981 O GLN A 127 10.555 -0.905 11.164 1.00 0.00 O ATOM 1982 CB GLN A 127 13.872 -1.228 10.323 1.00 0.00 C ATOM 1983 CG GLN A 127 14.940 -2.178 9.778 1.00 0.00 C ATOM 1984 CD GLN A 127 16.035 -2.426 10.817 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.797 -2.938 11.898 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.246 -2.034 10.430 1.00 0.00 N ATOM 0 H GLN A 127 12.583 -0.318 8.401 1.00 0.00 H new ATOM 0 HA GLN A 127 12.551 -2.754 9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.030 -0.228 9.920 1.00 0.00 H new ATOM 0 HB3 GLN A 127 13.965 -1.153 11.406 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.480 -3.125 9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.380 -1.756 8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.376 -1.612 9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.045 -2.156 11.053 1.00 0.00 H new ATOM 1995 N GLY A 128 11.870 -2.441 12.178 1.00 0.00 N ATOM 1996 CA GLY A 128 11.074 -2.483 13.393 1.00 0.00 C ATOM 1997 C GLY A 128 11.617 -1.507 14.439 1.00 0.00 C ATOM 1998 O GLY A 128 10.849 -0.865 15.153 1.00 0.00 O ATOM 0 H GLY A 128 12.683 -3.058 12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.038 -2.235 13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.076 -3.495 13.799 1.00 0.00 H new ATOM 2002 N HIS A 129 12.939 -1.428 14.497 1.00 0.00 N ATOM 2003 CA HIS A 129 13.594 -0.542 15.444 1.00 0.00 C ATOM 2004 C HIS A 129 13.047 0.878 15.281 1.00 0.00 C ATOM 2005 O HIS A 129 12.973 1.633 16.250 1.00 0.00 O ATOM 2006 CB HIS A 129 15.115 -0.612 15.290 1.00 0.00 C ATOM 2007 CG HIS A 129 15.656 0.212 14.147 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.380 -0.337 13.103 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.569 1.550 13.893 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.711 0.635 12.266 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.208 1.804 12.758 1.00 0.00 N ATOM 0 H HIS A 129 13.573 -1.963 13.904 1.00 0.00 H new ATOM 0 HA HIS A 129 13.374 -0.865 16.462 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.579 -0.277 16.217 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.408 -1.652 15.145 1.00 0.00 H new ATOM 0 HD1 HIS A 129 16.618 -1.323 12.996 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.065 2.279 14.511 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.279 0.522 11.354 1.00 0.00 H new ATOM 2019 N LEU A 130 12.677 1.198 14.050 1.00 0.00 N ATOM 2020 CA LEU A 130 12.139 2.514 13.748 1.00 0.00 C ATOM 2021 C LEU A 130 10.858 2.733 14.556 1.00 0.00 C ATOM 2022 O LEU A 130 10.738 3.721 15.280 1.00 0.00 O ATOM 2023 CB LEU A 130 11.952 2.683 12.239 1.00 0.00 C ATOM 2024 CG LEU A 130 13.222 2.591 11.391 1.00 0.00 C ATOM 2025 CD1 LEU A 130 12.886 2.252 9.937 1.00 0.00 C ATOM 2026 CD2 LEU A 130 14.051 3.871 11.505 1.00 0.00 C ATOM 0 H LEU A 130 12.739 0.569 13.250 1.00 0.00 H new ATOM 0 HA LEU A 130 12.842 3.292 14.047 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.252 1.923 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.487 3.652 12.057 1.00 0.00 H new ATOM 0 HG LEU A 130 13.834 1.776 11.778 1.00 0.00 H new ATOM 0 HD11 LEU A 130 13.806 2.192 9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.369 1.293 9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.244 3.028 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.948 3.779 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.460 4.719 11.159 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.336 4.028 12.545 1.00 0.00 H new ATOM 2038 N TRP A 131 9.934 1.797 14.404 1.00 0.00 N ATOM 2039 CA TRP A 131 8.666 1.876 15.110 1.00 0.00 C ATOM 2040 C TRP A 131 8.965 2.000 16.606 1.00 0.00 C ATOM 2041 O TRP A 131 8.425 2.877 17.279 1.00 0.00 O ATOM 2042 CB TRP A 131 7.777 0.676 14.776 1.00 0.00 C ATOM 2043 CG TRP A 131 7.253 0.671 13.338 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.587 -0.161 12.342 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.283 1.578 12.773 1.00 0.00 C ATOM 2046 NE1 TRP A 131 6.906 0.142 11.181 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.087 1.233 11.452 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.594 2.653 13.360 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.204 1.913 10.604 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.715 3.323 12.500 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.506 2.988 11.167 1.00 0.00 C ATOM 0 H TRP A 131 10.037 0.980 13.803 1.00 0.00 H new ATOM 0 HA TRP A 131 8.102 2.753 14.793 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.341 -0.240 14.950 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.929 0.663 15.461 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.299 -0.967 12.436 1.00 0.00 H new ATOM 0 HE1 TRP A 131 6.988 -0.345 10.288 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.731 2.940 14.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.069 1.624 9.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.160 4.159 12.900 1.00 0.00 H new ATOM 0 HH2 TRP A 131 3.808 3.555 10.568 1.00 0.00 H new ATOM 2062 N GLN A 132 9.824 1.111 17.081 1.00 0.00 N ATOM 2063 CA GLN A 132 10.201 1.110 18.484 1.00 0.00 C ATOM 2064 C GLN A 132 11.579 1.749 18.664 1.00 0.00 C ATOM 2065 O GLN A 132 12.563 1.053 18.908 1.00 0.00 O ATOM 2066 CB GLN A 132 10.175 -0.308 19.058 1.00 0.00 C ATOM 2067 CG GLN A 132 11.282 -1.168 18.446 1.00 0.00 C ATOM 2068 CD GLN A 132 10.829 -2.622 18.299 1.00 0.00 C ATOM 2069 OE1 GLN A 132 11.106 -3.472 19.129 1.00 0.00 O ATOM 2070 NE2 GLN A 132 10.119 -2.859 17.199 1.00 0.00 N ATOM 0 H GLN A 132 10.270 0.386 16.519 1.00 0.00 H new ATOM 0 HA GLN A 132 9.472 1.703 19.036 1.00 0.00 H new ATOM 0 HB2 GLN A 132 10.297 -0.268 20.140 1.00 0.00 H new ATOM 0 HB3 GLN A 132 9.205 -0.765 18.863 1.00 0.00 H new ATOM 0 HG2 GLN A 132 11.559 -0.769 17.470 1.00 0.00 H new ATOM 0 HG3 GLN A 132 12.172 -1.122 19.074 1.00 0.00 H new ATOM 0 HE21 GLN A 132 9.923 -2.101 16.545 1.00 0.00 H new ATOM 0 HE22 GLN A 132 9.771 -3.799 17.009 1.00 0.00 H new ATOM 2079 N SER A 133 11.606 3.068 18.537 1.00 0.00 N ATOM 2080 CA SER A 133 12.847 3.809 18.682 1.00 0.00 C ATOM 2081 C SER A 133 13.626 3.292 19.893 1.00 0.00 C ATOM 2082 O SER A 133 13.055 2.656 20.778 1.00 0.00 O ATOM 2083 CB SER A 133 12.580 5.309 18.823 1.00 0.00 C ATOM 2084 OG SER A 133 13.571 6.091 18.162 1.00 0.00 O ATOM 0 H SER A 133 10.788 3.642 18.335 1.00 0.00 H new ATOM 0 HA SER A 133 13.443 3.657 17.782 1.00 0.00 H new ATOM 0 HB2 SER A 133 11.599 5.543 18.411 1.00 0.00 H new ATOM 0 HB3 SER A 133 12.553 5.575 19.880 1.00 0.00 H new ATOM 0 HG SER A 133 13.365 7.043 18.273 1.00 0.00 H new ATOM 2090 N LYS A 134 14.918 3.585 19.894 1.00 0.00 N ATOM 2091 CA LYS A 134 15.781 3.158 20.982 1.00 0.00 C ATOM 2092 C LYS A 134 17.221 3.579 20.681 1.00 0.00 C ATOM 2093 O LYS A 134 17.944 4.015 21.575 1.00 0.00 O ATOM 2094 CB LYS A 134 15.620 1.658 21.238 1.00 0.00 C ATOM 2095 CG LYS A 134 15.648 0.872 19.925 1.00 0.00 C ATOM 2096 CD LYS A 134 15.630 -0.635 20.188 1.00 0.00 C ATOM 2097 CE LYS A 134 16.903 -1.299 19.660 1.00 0.00 C ATOM 2098 NZ LYS A 134 16.984 -2.703 20.120 1.00 0.00 N ATOM 0 H LYS A 134 15.388 4.113 19.159 1.00 0.00 H new ATOM 0 HA LYS A 134 15.492 3.649 21.911 1.00 0.00 H new ATOM 0 HB2 LYS A 134 16.419 1.309 21.892 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.680 1.473 21.757 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.789 1.148 19.313 1.00 0.00 H new ATOM 0 HG3 LYS A 134 16.541 1.135 19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 134 15.536 -0.820 21.258 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.758 -1.081 19.710 1.00 0.00 H new ATOM 0 HE2 LYS A 134 16.912 -1.266 18.571 1.00 0.00 H new ATOM 0 HE3 LYS A 134 17.778 -0.747 20.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 17.854 -3.139 19.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 16.997 -2.728 21.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 16.158 -3.231 19.771 1.00 0.00 H new ATOM 2112 N LYS A 135 17.594 3.432 19.418 1.00 0.00 N ATOM 2113 CA LYS A 135 18.935 3.792 18.987 1.00 0.00 C ATOM 2114 C LYS A 135 18.951 3.954 17.466 1.00 0.00 C ATOM 2115 O LYS A 135 18.943 2.966 16.733 1.00 0.00 O ATOM 2116 CB LYS A 135 19.955 2.778 19.508 1.00 0.00 C ATOM 2117 CG LYS A 135 21.357 3.090 18.981 1.00 0.00 C ATOM 2118 CD LYS A 135 22.421 2.781 20.037 1.00 0.00 C ATOM 2119 CE LYS A 135 23.434 1.761 19.512 1.00 0.00 C ATOM 2120 NZ LYS A 135 23.609 0.658 20.483 1.00 0.00 N ATOM 0 H LYS A 135 16.992 3.069 18.679 1.00 0.00 H new ATOM 0 HA LYS A 135 19.227 4.752 19.413 1.00 0.00 H new ATOM 0 HB2 LYS A 135 19.961 2.790 20.598 1.00 0.00 H new ATOM 0 HB3 LYS A 135 19.663 1.773 19.202 1.00 0.00 H new ATOM 0 HG2 LYS A 135 21.550 2.504 18.082 1.00 0.00 H new ATOM 0 HG3 LYS A 135 21.417 4.140 18.696 1.00 0.00 H new ATOM 0 HD2 LYS A 135 22.937 3.699 20.319 1.00 0.00 H new ATOM 0 HD3 LYS A 135 21.944 2.395 20.937 1.00 0.00 H new ATOM 0 HE2 LYS A 135 23.095 1.362 18.556 1.00 0.00 H new ATOM 0 HE3 LYS A 135 24.391 2.250 19.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 24.299 -0.025 20.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 23.953 1.042 21.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 22.697 0.181 20.635 1.00 0.00 H new ATOM 2134 N SER A 136 18.972 5.207 17.036 1.00 0.00 N ATOM 2135 CA SER A 136 18.989 5.511 15.615 1.00 0.00 C ATOM 2136 C SER A 136 20.221 6.352 15.275 1.00 0.00 C ATOM 2137 O SER A 136 20.610 7.229 16.044 1.00 0.00 O ATOM 2138 CB SER A 136 17.714 6.243 15.193 1.00 0.00 C ATOM 2139 OG SER A 136 17.517 6.203 13.783 1.00 0.00 O ATOM 0 H SER A 136 18.978 6.024 17.647 1.00 0.00 H new ATOM 0 HA SER A 136 19.035 4.571 15.065 1.00 0.00 H new ATOM 0 HB2 SER A 136 16.856 5.793 15.692 1.00 0.00 H new ATOM 0 HB3 SER A 136 17.766 7.281 15.522 1.00 0.00 H new ATOM 0 HG SER A 136 16.692 6.680 13.554 1.00 0.00 H new ATOM 2145 N GLY A 137 20.801 6.054 14.121 1.00 0.00 N ATOM 2146 CA GLY A 137 21.981 6.772 13.670 1.00 0.00 C ATOM 2147 C GLY A 137 22.000 6.890 12.145 1.00 0.00 C ATOM 2148 O GLY A 137 21.593 5.967 11.441 1.00 0.00 O ATOM 0 H GLY A 137 20.476 5.326 13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 137 21.999 7.767 14.116 1.00 0.00 H new ATOM 0 HA3 GLY A 137 22.878 6.255 14.010 1.00 0.00 H new ATOM 2152 N PRO A 138 22.490 8.065 11.665 1.00 0.00 N ATOM 2153 CA PRO A 138 22.568 8.316 10.236 1.00 0.00 C ATOM 2154 C PRO A 138 23.724 7.536 9.605 1.00 0.00 C ATOM 2155 O PRO A 138 23.505 6.682 8.747 1.00 0.00 O ATOM 2156 CB PRO A 138 22.729 9.822 10.110 1.00 0.00 C ATOM 2157 CG PRO A 138 23.201 10.307 11.471 1.00 0.00 C ATOM 2158 CD PRO A 138 22.982 9.181 12.468 1.00 0.00 C ATOM 0 HA PRO A 138 21.681 7.977 9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 138 23.452 10.074 9.334 1.00 0.00 H new ATOM 0 HB3 PRO A 138 21.786 10.294 9.833 1.00 0.00 H new ATOM 0 HG2 PRO A 138 24.255 10.584 11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 138 22.648 11.197 11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 138 23.908 8.921 12.982 1.00 0.00 H new ATOM 0 HD3 PRO A 138 22.261 9.465 13.234 1.00 0.00 H new ATOM 2166 N SER A 139 24.928 7.858 10.053 1.00 0.00 N ATOM 2167 CA SER A 139 26.118 7.199 9.543 1.00 0.00 C ATOM 2168 C SER A 139 26.288 7.506 8.054 1.00 0.00 C ATOM 2169 O SER A 139 25.551 6.983 7.220 1.00 0.00 O ATOM 2170 CB SER A 139 26.049 5.687 9.768 1.00 0.00 C ATOM 2171 OG SER A 139 26.180 5.346 11.146 1.00 0.00 O ATOM 0 H SER A 139 25.105 8.567 10.764 1.00 0.00 H new ATOM 0 HA SER A 139 26.981 7.582 10.088 1.00 0.00 H new ATOM 0 HB2 SER A 139 25.100 5.307 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 139 26.839 5.199 9.197 1.00 0.00 H new ATOM 0 HG SER A 139 26.129 4.373 11.248 1.00 0.00 H new ATOM 2177 N SER A 140 27.265 8.354 7.765 1.00 0.00 N ATOM 2178 CA SER A 140 27.542 8.737 6.391 1.00 0.00 C ATOM 2179 C SER A 140 28.785 9.627 6.337 1.00 0.00 C ATOM 2180 O SER A 140 29.712 9.359 5.574 1.00 0.00 O ATOM 2181 CB SER A 140 26.345 9.458 5.769 1.00 0.00 C ATOM 2182 OG SER A 140 26.355 9.380 4.346 1.00 0.00 O ATOM 0 H SER A 140 27.874 8.786 8.459 1.00 0.00 H new ATOM 0 HA SER A 140 27.726 7.831 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 140 25.421 9.022 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 140 26.353 10.504 6.075 1.00 0.00 H new ATOM 0 HG SER A 140 25.574 9.851 3.987 1.00 0.00 H new ATOM 2188 N GLY A 141 28.764 10.669 7.155 1.00 0.00 N ATOM 2189 CA GLY A 141 29.878 11.600 7.210 1.00 0.00 C ATOM 2190 C GLY A 141 30.951 11.116 8.188 1.00 0.00 C ATOM 2191 O GLY A 141 31.958 11.791 8.394 1.00 0.00 O ATOM 0 H GLY A 141 27.993 10.889 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 141 30.311 11.713 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 141 29.520 12.583 7.515 1.00 0.00 H new TER 2195 GLY A 141