USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 724 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 23 SER OG : rot -58:sc= 0.427 USER MOD Set 1.2: A 26 SER OG : rot -48:sc= 0.143 USER MOD Set 1.3: A 48 THR OG1 : rot -121:sc= -0.879 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0242 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.066 (180deg=-0.288) USER MOD Single : A 10 GLN : amide:sc= 0.0377 K(o=0.038,f=-1.3) USER MOD Single : A 12 LYS NZ :NH3+ 134:sc= 0.9 (180deg=-0.196) USER MOD Single : A 13 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= -0.0329 (180deg=-1.49!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0253 F(o=-1.3,f=-0.025) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 0.473 (180deg=-0.394) USER MOD Single : A 29 GLN : amide:sc= 0.143 K(o=0.14,f=-4.7!) USER MOD Single : A 34 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 0.897 (180deg=-0.207) USER MOD Single : A 36 GLN :FLIP amide:sc= 0.138 F(o=-1.2,f=0.14) USER MOD Single : A 38 ASN : amide:sc= -0.0024 K(o=-0.0024,f=-3.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.19) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00485) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 0.197 (180deg=0.118) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.74 F(o=-2.5!,f=-1.7) USER MOD Single : A 55 TYR OH : rot 102:sc= 0.967 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0589 K(o=-0.059,f=-0.57) USER MOD Single : A 65 THR OG1 : rot 2:sc= 0.865 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0.364 (180deg=0.356) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00555 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.44! C(o=-1.4!,f=-4.7!) USER MOD Single : A 81 HIS : no HE2:sc= 0.447 K(o=0.45,f=-1.5!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.379 -9.474 8.179 1.00 53.51 N ATOM 2 CA MET A 1 -18.043 -8.906 7.869 1.00 60.14 C ATOM 3 C MET A 1 -18.017 -7.400 8.190 1.00 50.43 C ATOM 4 O MET A 1 -19.028 -6.710 7.994 1.00 1.33 O ATOM 5 CB MET A 1 -17.674 -9.155 6.374 1.00 23.14 C ATOM 6 CG MET A 1 -17.339 -10.618 6.049 1.00 71.51 C ATOM 7 SD MET A 1 -15.886 -11.176 6.966 1.00 62.34 S ATOM 8 CE MET A 1 -15.633 -12.822 6.307 1.00 24.02 C ATOM 0 H1 MET A 1 -19.311 -10.083 9.019 1.00 53.51 H new ATOM 0 H2 MET A 1 -20.050 -8.701 8.365 1.00 53.51 H new ATOM 0 H3 MET A 1 -19.714 -10.036 7.370 1.00 53.51 H new ATOM 0 HA MET A 1 -17.300 -9.406 8.491 1.00 60.14 H new ATOM 0 HB2 MET A 1 -18.506 -8.836 5.747 1.00 23.14 H new ATOM 0 HB3 MET A 1 -16.820 -8.531 6.112 1.00 23.14 H new ATOM 0 HG2 MET A 1 -18.192 -11.252 6.293 1.00 71.51 H new ATOM 0 HG3 MET A 1 -17.159 -10.723 4.979 1.00 71.51 H new ATOM 0 HE1 MET A 1 -14.767 -13.277 6.788 1.00 24.02 H new ATOM 0 HE2 MET A 1 -16.517 -13.430 6.499 1.00 24.02 H new ATOM 0 HE3 MET A 1 -15.461 -12.761 5.232 1.00 24.02 H new ATOM 20 N PRO A 2 -16.866 -6.852 8.693 1.00 32.42 N ATOM 21 CA PRO A 2 -16.730 -5.404 8.944 1.00 42.13 C ATOM 22 C PRO A 2 -16.513 -4.646 7.613 1.00 25.34 C ATOM 23 O PRO A 2 -15.416 -4.177 7.331 1.00 21.24 O ATOM 24 CB PRO A 2 -15.500 -5.339 9.888 1.00 20.52 C ATOM 25 CG PRO A 2 -14.643 -6.493 9.457 1.00 22.40 C ATOM 26 CD PRO A 2 -15.612 -7.589 9.053 1.00 54.31 C ATOM 0 HA PRO A 2 -17.609 -4.934 9.385 1.00 42.13 H new ATOM 0 HB2 PRO A 2 -14.971 -4.391 9.788 1.00 20.52 H new ATOM 0 HB3 PRO A 2 -15.795 -5.431 10.933 1.00 20.52 H new ATOM 0 HG2 PRO A 2 -13.998 -6.213 8.624 1.00 22.40 H new ATOM 0 HG3 PRO A 2 -13.993 -6.823 10.267 1.00 22.40 H new ATOM 0 HD2 PRO A 2 -15.232 -8.166 8.210 1.00 54.31 H new ATOM 0 HD3 PRO A 2 -15.782 -8.291 9.869 1.00 54.31 H new ATOM 34 N SER A 3 -17.591 -4.542 6.808 1.00 63.15 N ATOM 35 CA SER A 3 -17.533 -4.077 5.405 1.00 52.34 C ATOM 36 C SER A 3 -17.029 -2.617 5.272 1.00 4.23 C ATOM 37 O SER A 3 -16.434 -2.260 4.242 1.00 23.43 O ATOM 38 CB SER A 3 -18.915 -4.253 4.746 1.00 25.15 C ATOM 39 OG SER A 3 -18.868 -3.956 3.360 1.00 74.25 O ATOM 0 H SER A 3 -18.534 -4.780 7.115 1.00 63.15 H new ATOM 0 HA SER A 3 -16.800 -4.693 4.883 1.00 52.34 H new ATOM 0 HB2 SER A 3 -19.260 -5.277 4.889 1.00 25.15 H new ATOM 0 HB3 SER A 3 -19.639 -3.601 5.235 1.00 25.15 H new ATOM 0 HG SER A 3 -19.758 -4.078 2.969 1.00 74.25 H new ATOM 45 N GLU A 4 -17.262 -1.792 6.319 1.00 60.25 N ATOM 46 CA GLU A 4 -16.702 -0.422 6.406 1.00 51.42 C ATOM 47 C GLU A 4 -15.163 -0.484 6.547 1.00 41.42 C ATOM 48 O GLU A 4 -14.440 0.166 5.802 1.00 73.12 O ATOM 49 CB GLU A 4 -17.329 0.360 7.598 1.00 4.32 C ATOM 50 CG GLU A 4 -16.763 1.783 7.796 1.00 64.24 C ATOM 51 CD GLU A 4 -17.440 2.551 8.942 1.00 45.54 C ATOM 52 OE1 GLU A 4 -18.428 3.282 8.698 1.00 72.05 O ATOM 53 OE2 GLU A 4 -16.990 2.430 10.102 1.00 52.12 O ATOM 0 H GLU A 4 -17.837 -2.053 7.120 1.00 60.25 H new ATOM 0 HA GLU A 4 -16.949 0.110 5.487 1.00 51.42 H new ATOM 0 HB2 GLU A 4 -18.406 0.429 7.445 1.00 4.32 H new ATOM 0 HB3 GLU A 4 -17.173 -0.211 8.513 1.00 4.32 H new ATOM 0 HG2 GLU A 4 -15.693 1.717 7.994 1.00 64.24 H new ATOM 0 HG3 GLU A 4 -16.882 2.346 6.870 1.00 64.24 H new ATOM 60 N GLU A 5 -14.700 -1.321 7.487 1.00 34.04 N ATOM 61 CA GLU A 5 -13.266 -1.533 7.801 1.00 42.41 C ATOM 62 C GLU A 5 -12.578 -2.407 6.722 1.00 50.10 C ATOM 63 O GLU A 5 -11.351 -2.396 6.594 1.00 1.22 O ATOM 64 CB GLU A 5 -13.146 -2.169 9.212 1.00 4.41 C ATOM 65 CG GLU A 5 -11.705 -2.331 9.733 1.00 30.03 C ATOM 66 CD GLU A 5 -11.645 -2.866 11.168 1.00 22.10 C ATOM 67 OE1 GLU A 5 -11.271 -4.039 11.374 1.00 42.23 O ATOM 68 OE2 GLU A 5 -11.993 -2.120 12.105 1.00 50.43 O ATOM 0 H GLU A 5 -15.321 -1.886 8.067 1.00 34.04 H new ATOM 0 HA GLU A 5 -12.751 -0.572 7.800 1.00 42.41 H new ATOM 0 HB2 GLU A 5 -13.705 -1.556 9.919 1.00 4.41 H new ATOM 0 HB3 GLU A 5 -13.622 -3.149 9.194 1.00 4.41 H new ATOM 0 HG2 GLU A 5 -11.160 -3.008 9.075 1.00 30.03 H new ATOM 0 HG3 GLU A 5 -11.198 -1.367 9.689 1.00 30.03 H new ATOM 75 N GLU A 6 -13.394 -3.150 5.942 1.00 4.10 N ATOM 76 CA GLU A 6 -12.925 -4.136 4.943 1.00 51.21 C ATOM 77 C GLU A 6 -12.129 -3.463 3.801 1.00 33.13 C ATOM 78 O GLU A 6 -11.450 -4.144 3.021 1.00 64.40 O ATOM 79 CB GLU A 6 -14.122 -4.941 4.381 1.00 1.24 C ATOM 80 CG GLU A 6 -13.729 -6.219 3.614 1.00 22.11 C ATOM 81 CD GLU A 6 -14.939 -6.959 3.039 1.00 10.31 C ATOM 82 OE1 GLU A 6 -15.679 -7.601 3.815 1.00 22.13 O ATOM 83 OE2 GLU A 6 -15.163 -6.899 1.809 1.00 14.42 O ATOM 0 H GLU A 6 -14.411 -3.081 5.989 1.00 4.10 H new ATOM 0 HA GLU A 6 -12.245 -4.823 5.447 1.00 51.21 H new ATOM 0 HB2 GLU A 6 -14.779 -5.215 5.207 1.00 1.24 H new ATOM 0 HB3 GLU A 6 -14.697 -4.296 3.717 1.00 1.24 H new ATOM 0 HG2 GLU A 6 -13.050 -5.957 2.803 1.00 22.11 H new ATOM 0 HG3 GLU A 6 -13.184 -6.886 4.282 1.00 22.11 H new ATOM 90 N GLU A 7 -12.241 -2.116 3.720 1.00 70.51 N ATOM 91 CA GLU A 7 -11.348 -1.269 2.917 1.00 54.04 C ATOM 92 C GLU A 7 -9.883 -1.675 3.157 1.00 12.13 C ATOM 93 O GLU A 7 -9.192 -2.032 2.231 1.00 74.52 O ATOM 94 CB GLU A 7 -11.517 0.225 3.286 1.00 40.22 C ATOM 95 CG GLU A 7 -12.918 0.802 3.080 1.00 1.21 C ATOM 96 CD GLU A 7 -12.970 2.314 3.357 1.00 25.10 C ATOM 97 OE1 GLU A 7 -13.295 3.103 2.443 1.00 4.35 O ATOM 98 OE2 GLU A 7 -12.643 2.725 4.490 1.00 45.12 O ATOM 0 H GLU A 7 -12.961 -1.590 4.216 1.00 70.51 H new ATOM 0 HA GLU A 7 -11.610 -1.408 1.868 1.00 54.04 H new ATOM 0 HB2 GLU A 7 -11.240 0.356 4.332 1.00 40.22 H new ATOM 0 HB3 GLU A 7 -10.812 0.809 2.694 1.00 40.22 H new ATOM 0 HG2 GLU A 7 -13.241 0.610 2.057 1.00 1.21 H new ATOM 0 HG3 GLU A 7 -13.620 0.290 3.737 1.00 1.21 H new ATOM 105 N LYS A 8 -9.490 -1.708 4.444 1.00 75.14 N ATOM 106 CA LYS A 8 -8.132 -2.082 4.891 1.00 23.52 C ATOM 107 C LYS A 8 -7.761 -3.510 4.421 1.00 63.01 C ATOM 108 O LYS A 8 -6.675 -3.722 3.881 1.00 50.10 O ATOM 109 CB LYS A 8 -8.007 -1.992 6.447 1.00 13.41 C ATOM 110 CG LYS A 8 -7.947 -0.561 7.045 1.00 31.53 C ATOM 111 CD LYS A 8 -9.248 0.266 6.900 1.00 42.01 C ATOM 112 CE LYS A 8 -9.125 1.658 7.552 1.00 12.22 C ATOM 113 NZ LYS A 8 -8.763 1.566 8.995 1.00 24.22 N ATOM 0 H LYS A 8 -10.115 -1.472 5.215 1.00 75.14 H new ATOM 0 HA LYS A 8 -7.437 -1.373 4.440 1.00 23.52 H new ATOM 0 HB2 LYS A 8 -8.855 -2.514 6.890 1.00 13.41 H new ATOM 0 HB3 LYS A 8 -7.108 -2.529 6.751 1.00 13.41 H new ATOM 0 HG2 LYS A 8 -7.699 -0.636 8.104 1.00 31.53 H new ATOM 0 HG3 LYS A 8 -7.134 -0.017 6.565 1.00 31.53 H new ATOM 0 HD2 LYS A 8 -9.488 0.381 5.843 1.00 42.01 H new ATOM 0 HD3 LYS A 8 -10.075 -0.277 7.358 1.00 42.01 H new ATOM 0 HE2 LYS A 8 -8.369 2.240 7.025 1.00 12.22 H new ATOM 0 HE3 LYS A 8 -10.069 2.192 7.448 1.00 12.22 H new ATOM 0 HZ1 LYS A 8 -8.904 2.492 9.448 1.00 24.22 H new ATOM 0 HZ2 LYS A 8 -9.366 0.858 9.460 1.00 24.22 H new ATOM 0 HZ3 LYS A 8 -7.766 1.284 9.086 1.00 24.22 H new ATOM 127 N ARG A 9 -8.710 -4.458 4.592 1.00 74.34 N ATOM 128 CA ARG A 9 -8.519 -5.893 4.250 1.00 23.12 C ATOM 129 C ARG A 9 -8.104 -6.056 2.771 1.00 32.53 C ATOM 130 O ARG A 9 -7.177 -6.811 2.449 1.00 14.33 O ATOM 131 CB ARG A 9 -9.821 -6.704 4.527 1.00 53.43 C ATOM 132 CG ARG A 9 -10.365 -6.604 5.970 1.00 42.53 C ATOM 133 CD ARG A 9 -9.374 -7.122 7.019 1.00 4.21 C ATOM 134 NE ARG A 9 -9.045 -8.536 6.809 1.00 32.41 N ATOM 135 CZ ARG A 9 -8.184 -9.255 7.545 1.00 2.41 C ATOM 136 NH1 ARG A 9 -7.537 -8.717 8.578 1.00 52.33 N ATOM 137 NH2 ARG A 9 -7.959 -10.520 7.220 1.00 2.20 N ATOM 0 H ARG A 9 -9.634 -4.253 4.972 1.00 74.34 H new ATOM 0 HA ARG A 9 -7.721 -6.282 4.882 1.00 23.12 H new ATOM 0 HB2 ARG A 9 -10.595 -6.363 3.840 1.00 53.43 H new ATOM 0 HB3 ARG A 9 -9.632 -7.753 4.299 1.00 53.43 H new ATOM 0 HG2 ARG A 9 -10.608 -5.565 6.190 1.00 42.53 H new ATOM 0 HG3 ARG A 9 -11.293 -7.171 6.043 1.00 42.53 H new ATOM 0 HD2 ARG A 9 -8.461 -6.527 6.981 1.00 4.21 H new ATOM 0 HD3 ARG A 9 -9.798 -6.992 8.015 1.00 4.21 H new ATOM 0 HE ARG A 9 -9.511 -9.014 6.037 1.00 32.41 H new ATOM 0 HH11 ARG A 9 -7.692 -7.739 8.823 1.00 52.33 H new ATOM 0 HH12 ARG A 9 -6.887 -9.283 9.123 1.00 52.33 H new ATOM 0 HH21 ARG A 9 -8.438 -10.934 6.420 1.00 2.20 H new ATOM 0 HH22 ARG A 9 -7.307 -11.080 7.770 1.00 2.20 H new ATOM 151 N GLN A 10 -8.772 -5.275 1.911 1.00 12.31 N ATOM 152 CA GLN A 10 -8.573 -5.284 0.456 1.00 10.02 C ATOM 153 C GLN A 10 -7.304 -4.497 0.057 1.00 44.22 C ATOM 154 O GLN A 10 -6.403 -5.042 -0.574 1.00 23.35 O ATOM 155 CB GLN A 10 -9.823 -4.667 -0.229 1.00 12.22 C ATOM 156 CG GLN A 10 -11.135 -5.442 0.026 1.00 14.20 C ATOM 157 CD GLN A 10 -12.375 -4.760 -0.564 1.00 52.34 C ATOM 158 OE1 GLN A 10 -12.295 -4.052 -1.571 1.00 15.40 O ATOM 159 NE2 GLN A 10 -13.530 -4.968 0.048 1.00 30.14 N ATOM 0 H GLN A 10 -9.480 -4.606 2.214 1.00 12.31 H new ATOM 0 HA GLN A 10 -8.438 -6.314 0.127 1.00 10.02 H new ATOM 0 HB2 GLN A 10 -9.946 -3.642 0.121 1.00 12.22 H new ATOM 0 HB3 GLN A 10 -9.647 -4.618 -1.304 1.00 12.22 H new ATOM 0 HG2 GLN A 10 -11.045 -6.442 -0.398 1.00 14.20 H new ATOM 0 HG3 GLN A 10 -11.273 -5.562 1.100 1.00 14.20 H new ATOM 0 HE21 GLN A 10 -13.568 -5.558 0.879 1.00 30.14 H new ATOM 0 HE22 GLN A 10 -14.382 -4.538 -0.312 1.00 30.14 H new ATOM 168 N VAL A 11 -7.247 -3.230 0.495 1.00 34.40 N ATOM 169 CA VAL A 11 -6.294 -2.210 0.008 1.00 71.21 C ATOM 170 C VAL A 11 -4.828 -2.533 0.356 1.00 71.43 C ATOM 171 O VAL A 11 -3.953 -2.290 -0.474 1.00 73.24 O ATOM 172 CB VAL A 11 -6.699 -0.774 0.538 1.00 52.12 C ATOM 173 CG1 VAL A 11 -5.643 0.302 0.230 1.00 3.32 C ATOM 174 CG2 VAL A 11 -8.058 -0.341 -0.048 1.00 3.32 C ATOM 0 H VAL A 11 -7.876 -2.874 1.215 1.00 34.40 H new ATOM 0 HA VAL A 11 -6.356 -2.219 -1.080 1.00 71.21 H new ATOM 0 HB VAL A 11 -6.771 -0.861 1.622 1.00 52.12 H new ATOM 0 HG11 VAL A 11 -5.979 1.263 0.618 1.00 3.32 H new ATOM 0 HG12 VAL A 11 -4.698 0.030 0.701 1.00 3.32 H new ATOM 0 HG13 VAL A 11 -5.502 0.376 -0.848 1.00 3.32 H new ATOM 0 HG21 VAL A 11 -8.318 0.648 0.329 1.00 3.32 H new ATOM 0 HG22 VAL A 11 -7.992 -0.309 -1.136 1.00 3.32 H new ATOM 0 HG23 VAL A 11 -8.826 -1.055 0.248 1.00 3.32 H new ATOM 184 N LYS A 12 -4.566 -3.099 1.559 1.00 1.51 N ATOM 185 CA LYS A 12 -3.184 -3.476 1.966 1.00 61.55 C ATOM 186 C LYS A 12 -2.645 -4.579 1.034 1.00 12.24 C ATOM 187 O LYS A 12 -1.463 -4.583 0.682 1.00 63.10 O ATOM 188 CB LYS A 12 -3.116 -3.996 3.425 1.00 11.33 C ATOM 189 CG LYS A 12 -3.722 -3.072 4.502 1.00 31.53 C ATOM 190 CD LYS A 12 -3.598 -3.649 5.939 1.00 53.33 C ATOM 191 CE LYS A 12 -3.886 -5.167 6.049 1.00 75.41 C ATOM 192 NZ LYS A 12 -5.225 -5.557 5.518 1.00 0.51 N ATOM 0 H LYS A 12 -5.280 -3.304 2.258 1.00 1.51 H new ATOM 0 HA LYS A 12 -2.579 -2.572 1.895 1.00 61.55 H new ATOM 0 HB2 LYS A 12 -3.627 -4.958 3.471 1.00 11.33 H new ATOM 0 HB3 LYS A 12 -2.071 -4.177 3.677 1.00 11.33 H new ATOM 0 HG2 LYS A 12 -3.225 -2.103 4.462 1.00 31.53 H new ATOM 0 HG3 LYS A 12 -4.774 -2.901 4.275 1.00 31.53 H new ATOM 0 HD2 LYS A 12 -2.591 -3.455 6.309 1.00 53.33 H new ATOM 0 HD3 LYS A 12 -4.286 -3.113 6.593 1.00 53.33 H new ATOM 0 HE2 LYS A 12 -3.115 -5.716 5.508 1.00 75.41 H new ATOM 0 HE3 LYS A 12 -3.817 -5.467 7.094 1.00 75.41 H new ATOM 0 HZ1 LYS A 12 -5.127 -6.398 4.914 1.00 0.51 H new ATOM 0 HZ2 LYS A 12 -5.863 -5.772 6.310 1.00 0.51 H new ATOM 0 HZ3 LYS A 12 -5.619 -4.773 4.959 1.00 0.51 H new ATOM 206 N GLN A 13 -3.549 -5.510 0.656 1.00 4.00 N ATOM 207 CA GLN A 13 -3.228 -6.625 -0.246 1.00 40.51 C ATOM 208 C GLN A 13 -2.963 -6.106 -1.672 1.00 2.44 C ATOM 209 O GLN A 13 -1.978 -6.484 -2.290 1.00 24.14 O ATOM 210 CB GLN A 13 -4.364 -7.683 -0.246 1.00 20.40 C ATOM 211 CG GLN A 13 -4.068 -8.930 -1.108 1.00 64.13 C ATOM 212 CD GLN A 13 -5.189 -9.976 -1.140 1.00 64.44 C ATOM 213 OE1 GLN A 13 -4.922 -11.180 -1.235 1.00 64.03 O ATOM 214 NE2 GLN A 13 -6.444 -9.540 -1.109 1.00 31.34 N ATOM 0 H GLN A 13 -4.519 -5.505 0.970 1.00 4.00 H new ATOM 0 HA GLN A 13 -2.321 -7.108 0.118 1.00 40.51 H new ATOM 0 HB2 GLN A 13 -4.550 -8.000 0.780 1.00 20.40 H new ATOM 0 HB3 GLN A 13 -5.281 -7.216 -0.606 1.00 20.40 H new ATOM 0 HG2 GLN A 13 -3.863 -8.607 -2.129 1.00 64.13 H new ATOM 0 HG3 GLN A 13 -3.160 -9.404 -0.735 1.00 64.13 H new ATOM 0 HE21 GLN A 13 -6.635 -8.541 -1.030 1.00 31.34 H new ATOM 0 HE22 GLN A 13 -7.216 -10.204 -1.164 1.00 31.34 H new ATOM 223 N VAL A 14 -3.838 -5.200 -2.157 1.00 63.01 N ATOM 224 CA VAL A 14 -3.691 -4.559 -3.486 1.00 1.05 C ATOM 225 C VAL A 14 -2.357 -3.775 -3.551 1.00 73.44 C ATOM 226 O VAL A 14 -1.613 -3.880 -4.529 1.00 53.03 O ATOM 227 CB VAL A 14 -4.914 -3.600 -3.793 1.00 1.25 C ATOM 228 CG1 VAL A 14 -4.750 -2.857 -5.144 1.00 25.25 C ATOM 229 CG2 VAL A 14 -6.254 -4.380 -3.757 1.00 43.34 C ATOM 0 H VAL A 14 -4.663 -4.892 -1.643 1.00 63.01 H new ATOM 0 HA VAL A 14 -3.680 -5.340 -4.246 1.00 1.05 H new ATOM 0 HB VAL A 14 -4.931 -2.845 -3.007 1.00 1.25 H new ATOM 0 HG11 VAL A 14 -5.612 -2.212 -5.311 1.00 25.25 H new ATOM 0 HG12 VAL A 14 -3.844 -2.252 -5.119 1.00 25.25 H new ATOM 0 HG13 VAL A 14 -4.679 -3.584 -5.953 1.00 25.25 H new ATOM 0 HG21 VAL A 14 -7.077 -3.699 -3.971 1.00 43.34 H new ATOM 0 HG22 VAL A 14 -6.234 -5.172 -4.506 1.00 43.34 H new ATOM 0 HG23 VAL A 14 -6.393 -4.819 -2.769 1.00 43.34 H new ATOM 239 N ALA A 15 -2.046 -3.077 -2.445 1.00 23.43 N ATOM 240 CA ALA A 15 -0.864 -2.206 -2.320 1.00 74.44 C ATOM 241 C ALA A 15 0.446 -3.016 -2.281 1.00 75.51 C ATOM 242 O ALA A 15 1.452 -2.607 -2.887 1.00 1.31 O ATOM 243 CB ALA A 15 -1.003 -1.334 -1.060 1.00 42.55 C ATOM 0 H ALA A 15 -2.617 -3.102 -1.600 1.00 23.43 H new ATOM 0 HA ALA A 15 -0.815 -1.567 -3.202 1.00 74.44 H new ATOM 0 HB1 ALA A 15 -0.129 -0.689 -0.966 1.00 42.55 H new ATOM 0 HB2 ALA A 15 -1.900 -0.720 -1.139 1.00 42.55 H new ATOM 0 HB3 ALA A 15 -1.078 -1.974 -0.181 1.00 42.55 H new ATOM 249 N LYS A 16 0.422 -4.173 -1.583 1.00 24.15 N ATOM 250 CA LYS A 16 1.613 -5.031 -1.452 1.00 33.01 C ATOM 251 C LYS A 16 1.921 -5.728 -2.777 1.00 1.44 C ATOM 252 O LYS A 16 3.082 -5.948 -3.080 1.00 23.15 O ATOM 253 CB LYS A 16 1.487 -6.057 -0.289 1.00 22.31 C ATOM 254 CG LYS A 16 0.502 -7.222 -0.507 1.00 43.54 C ATOM 255 CD LYS A 16 0.454 -8.207 0.687 1.00 21.52 C ATOM 256 CE LYS A 16 1.790 -8.928 0.926 1.00 35.31 C ATOM 257 NZ LYS A 16 1.703 -9.891 2.064 1.00 22.44 N ATOM 0 H LYS A 16 -0.406 -4.530 -1.105 1.00 24.15 H new ATOM 0 HA LYS A 16 2.451 -4.381 -1.198 1.00 33.01 H new ATOM 0 HB2 LYS A 16 2.474 -6.476 -0.095 1.00 22.31 H new ATOM 0 HB3 LYS A 16 1.186 -5.519 0.610 1.00 22.31 H new ATOM 0 HG2 LYS A 16 -0.496 -6.819 -0.678 1.00 43.54 H new ATOM 0 HG3 LYS A 16 0.785 -7.766 -1.408 1.00 43.54 H new ATOM 0 HD2 LYS A 16 0.175 -7.662 1.589 1.00 21.52 H new ATOM 0 HD3 LYS A 16 -0.325 -8.948 0.508 1.00 21.52 H new ATOM 0 HE2 LYS A 16 2.083 -9.460 0.021 1.00 35.31 H new ATOM 0 HE3 LYS A 16 2.569 -8.193 1.130 1.00 35.31 H new ATOM 0 HZ1 LYS A 16 2.623 -10.358 2.195 1.00 22.44 H new ATOM 0 HZ2 LYS A 16 1.448 -9.380 2.933 1.00 22.44 H new ATOM 0 HZ3 LYS A 16 0.978 -10.607 1.858 1.00 22.44 H new ATOM 271 N GLU A 17 0.867 -6.018 -3.581 1.00 44.31 N ATOM 272 CA GLU A 17 1.030 -6.576 -4.940 1.00 63.21 C ATOM 273 C GLU A 17 1.802 -5.596 -5.831 1.00 30.41 C ATOM 274 O GLU A 17 2.690 -6.007 -6.576 1.00 44.44 O ATOM 275 CB GLU A 17 -0.337 -6.898 -5.598 1.00 61.30 C ATOM 276 CG GLU A 17 -1.165 -7.976 -4.877 1.00 31.11 C ATOM 277 CD GLU A 17 -0.437 -9.322 -4.731 1.00 34.53 C ATOM 278 OE1 GLU A 17 -0.426 -10.107 -5.706 1.00 74.44 O ATOM 279 OE2 GLU A 17 0.115 -9.614 -3.649 1.00 71.50 O ATOM 0 H GLU A 17 -0.105 -5.873 -3.307 1.00 44.31 H new ATOM 0 HA GLU A 17 1.591 -7.505 -4.841 1.00 63.21 H new ATOM 0 HB2 GLU A 17 -0.925 -5.981 -5.647 1.00 61.30 H new ATOM 0 HB3 GLU A 17 -0.163 -7.220 -6.625 1.00 61.30 H new ATOM 0 HG2 GLU A 17 -1.436 -7.611 -3.886 1.00 31.11 H new ATOM 0 HG3 GLU A 17 -2.094 -8.134 -5.424 1.00 31.11 H new ATOM 286 N LYS A 18 1.463 -4.293 -5.704 1.00 11.22 N ATOM 287 CA LYS A 18 2.118 -3.204 -6.457 1.00 43.11 C ATOM 288 C LYS A 18 3.627 -3.136 -6.111 1.00 73.34 C ATOM 289 O LYS A 18 4.464 -2.873 -6.980 1.00 33.31 O ATOM 290 CB LYS A 18 1.431 -1.837 -6.159 1.00 23.51 C ATOM 291 CG LYS A 18 -0.103 -1.799 -6.355 1.00 44.32 C ATOM 292 CD LYS A 18 -0.616 -2.218 -7.766 1.00 14.33 C ATOM 293 CE LYS A 18 -0.345 -1.175 -8.875 1.00 32.42 C ATOM 294 NZ LYS A 18 1.097 -1.051 -9.223 1.00 4.15 N ATOM 0 H LYS A 18 0.727 -3.969 -5.076 1.00 11.22 H new ATOM 0 HA LYS A 18 2.015 -3.416 -7.521 1.00 43.11 H new ATOM 0 HB2 LYS A 18 1.654 -1.556 -5.130 1.00 23.51 H new ATOM 0 HB3 LYS A 18 1.879 -1.079 -6.801 1.00 23.51 H new ATOM 0 HG2 LYS A 18 -0.562 -2.453 -5.613 1.00 44.32 H new ATOM 0 HG3 LYS A 18 -0.452 -0.787 -6.148 1.00 44.32 H new ATOM 0 HD2 LYS A 18 -0.145 -3.160 -8.046 1.00 14.33 H new ATOM 0 HD3 LYS A 18 -1.689 -2.402 -7.710 1.00 14.33 H new ATOM 0 HE2 LYS A 18 -0.905 -1.450 -9.768 1.00 32.42 H new ATOM 0 HE3 LYS A 18 -0.719 -0.204 -8.551 1.00 32.42 H new ATOM 0 HZ1 LYS A 18 1.190 -0.745 -10.213 1.00 4.15 H new ATOM 0 HZ2 LYS A 18 1.545 -0.349 -8.600 1.00 4.15 H new ATOM 0 HZ3 LYS A 18 1.564 -1.972 -9.100 1.00 4.15 H new ATOM 308 N LEU A 19 3.941 -3.404 -4.825 1.00 33.52 N ATOM 309 CA LEU A 19 5.325 -3.448 -4.309 1.00 72.34 C ATOM 310 C LEU A 19 6.063 -4.739 -4.714 1.00 2.32 C ATOM 311 O LEU A 19 7.284 -4.722 -4.902 1.00 20.15 O ATOM 312 CB LEU A 19 5.322 -3.294 -2.760 1.00 53.21 C ATOM 313 CG LEU A 19 4.823 -1.919 -2.228 1.00 2.43 C ATOM 314 CD1 LEU A 19 4.991 -1.813 -0.705 1.00 73.33 C ATOM 315 CD2 LEU A 19 5.536 -0.765 -2.941 1.00 14.31 C ATOM 0 H LEU A 19 3.237 -3.597 -4.112 1.00 33.52 H new ATOM 0 HA LEU A 19 5.865 -2.615 -4.759 1.00 72.34 H new ATOM 0 HB2 LEU A 19 4.696 -4.078 -2.335 1.00 53.21 H new ATOM 0 HB3 LEU A 19 6.335 -3.461 -2.393 1.00 53.21 H new ATOM 0 HG LEU A 19 3.758 -1.846 -2.448 1.00 2.43 H new ATOM 0 HD11 LEU A 19 4.633 -0.841 -0.366 1.00 73.33 H new ATOM 0 HD12 LEU A 19 4.415 -2.601 -0.220 1.00 73.33 H new ATOM 0 HD13 LEU A 19 6.044 -1.922 -0.447 1.00 73.33 H new ATOM 0 HD21 LEU A 19 5.170 0.185 -2.552 1.00 14.31 H new ATOM 0 HD22 LEU A 19 6.610 -0.838 -2.768 1.00 14.31 H new ATOM 0 HD23 LEU A 19 5.336 -0.820 -4.011 1.00 14.31 H new ATOM 327 N LEU A 20 5.312 -5.848 -4.839 1.00 30.14 N ATOM 328 CA LEU A 20 5.868 -7.154 -5.249 1.00 31.22 C ATOM 329 C LEU A 20 6.215 -7.157 -6.752 1.00 32.14 C ATOM 330 O LEU A 20 7.081 -7.914 -7.181 1.00 3.20 O ATOM 331 CB LEU A 20 4.890 -8.316 -4.886 1.00 24.41 C ATOM 332 CG LEU A 20 4.681 -8.588 -3.357 1.00 62.44 C ATOM 333 CD1 LEU A 20 3.626 -9.690 -3.113 1.00 41.45 C ATOM 334 CD2 LEU A 20 6.013 -8.917 -2.651 1.00 31.54 C ATOM 0 H LEU A 20 4.308 -5.867 -4.660 1.00 30.14 H new ATOM 0 HA LEU A 20 6.793 -7.318 -4.697 1.00 31.22 H new ATOM 0 HB2 LEU A 20 3.919 -8.099 -5.332 1.00 24.41 H new ATOM 0 HB3 LEU A 20 5.257 -9.231 -5.350 1.00 24.41 H new ATOM 0 HG LEU A 20 4.297 -7.668 -2.917 1.00 62.44 H new ATOM 0 HD11 LEU A 20 3.509 -9.850 -2.041 1.00 41.45 H new ATOM 0 HD12 LEU A 20 2.672 -9.381 -3.540 1.00 41.45 H new ATOM 0 HD13 LEU A 20 3.952 -10.617 -3.585 1.00 41.45 H new ATOM 0 HD21 LEU A 20 5.828 -9.100 -1.592 1.00 31.54 H new ATOM 0 HD22 LEU A 20 6.453 -9.807 -3.101 1.00 31.54 H new ATOM 0 HD23 LEU A 20 6.700 -8.077 -2.760 1.00 31.54 H new ATOM 346 N GLU A 21 5.534 -6.301 -7.540 1.00 72.53 N ATOM 347 CA GLU A 21 5.883 -6.071 -8.962 1.00 65.25 C ATOM 348 C GLU A 21 7.274 -5.417 -9.068 1.00 73.10 C ATOM 349 O GLU A 21 8.095 -5.788 -9.914 1.00 50.11 O ATOM 350 CB GLU A 21 4.828 -5.167 -9.654 1.00 22.31 C ATOM 351 CG GLU A 21 3.404 -5.748 -9.668 1.00 34.05 C ATOM 352 CD GLU A 21 2.390 -4.853 -10.397 1.00 30.45 C ATOM 353 OE1 GLU A 21 2.016 -5.171 -11.549 1.00 41.21 O ATOM 354 OE2 GLU A 21 1.984 -3.817 -9.839 1.00 4.03 O ATOM 0 H GLU A 21 4.736 -5.754 -7.217 1.00 72.53 H new ATOM 0 HA GLU A 21 5.897 -7.037 -9.467 1.00 65.25 H new ATOM 0 HB2 GLU A 21 4.808 -4.201 -9.149 1.00 22.31 H new ATOM 0 HB3 GLU A 21 5.143 -4.984 -10.681 1.00 22.31 H new ATOM 0 HG2 GLU A 21 3.423 -6.727 -10.146 1.00 34.05 H new ATOM 0 HG3 GLU A 21 3.071 -5.901 -8.641 1.00 34.05 H new ATOM 361 N GLN A 22 7.511 -4.435 -8.179 1.00 24.45 N ATOM 362 CA GLN A 22 8.783 -3.696 -8.095 1.00 71.14 C ATOM 363 C GLN A 22 9.904 -4.580 -7.525 1.00 11.53 C ATOM 364 O GLN A 22 11.061 -4.488 -7.955 1.00 65.01 O ATOM 365 CB GLN A 22 8.606 -2.434 -7.210 1.00 31.12 C ATOM 366 CG GLN A 22 7.565 -1.424 -7.738 1.00 71.53 C ATOM 367 CD GLN A 22 7.413 -0.169 -6.867 1.00 60.23 C ATOM 368 OE1 GLN A 22 7.523 -0.317 -5.549 1.00 21.52 O flip ATOM 369 NE2 GLN A 22 7.151 0.928 -7.374 1.00 43.31 N flip ATOM 0 H GLN A 22 6.820 -4.130 -7.494 1.00 24.45 H new ATOM 0 HA GLN A 22 9.066 -3.396 -9.104 1.00 71.14 H new ATOM 0 HB2 GLN A 22 8.314 -2.747 -6.207 1.00 31.12 H new ATOM 0 HB3 GLN A 22 9.569 -1.931 -7.120 1.00 31.12 H new ATOM 0 HG2 GLN A 22 7.847 -1.122 -8.747 1.00 71.53 H new ATOM 0 HG3 GLN A 22 6.598 -1.921 -7.813 1.00 71.53 H new ATOM 0 HE21 GLN A 22 7.072 1.016 -8.387 1.00 43.31 H new ATOM 0 HE22 GLN A 22 7.014 1.745 -6.779 1.00 43.31 H new ATOM 378 N SER A 23 9.537 -5.444 -6.566 1.00 22.24 N ATOM 379 CA SER A 23 10.489 -6.286 -5.846 1.00 12.03 C ATOM 380 C SER A 23 9.810 -7.613 -5.445 1.00 40.21 C ATOM 381 O SER A 23 9.173 -7.705 -4.386 1.00 42.40 O ATOM 382 CB SER A 23 11.067 -5.525 -4.618 1.00 14.01 C ATOM 383 OG SER A 23 12.127 -6.250 -4.005 1.00 71.24 O ATOM 0 H SER A 23 8.569 -5.574 -6.272 1.00 22.24 H new ATOM 0 HA SER A 23 11.330 -6.527 -6.496 1.00 12.03 H new ATOM 0 HB2 SER A 23 11.429 -4.546 -4.933 1.00 14.01 H new ATOM 0 HB3 SER A 23 10.274 -5.352 -3.890 1.00 14.01 H new ATOM 0 HG SER A 23 11.804 -7.134 -3.732 1.00 71.24 H new ATOM 389 N PRO A 24 9.879 -8.661 -6.335 1.00 61.23 N ATOM 390 CA PRO A 24 9.408 -10.032 -6.004 1.00 4.43 C ATOM 391 C PRO A 24 10.334 -10.719 -4.973 1.00 34.12 C ATOM 392 O PRO A 24 9.956 -11.702 -4.332 1.00 34.42 O ATOM 393 CB PRO A 24 9.425 -10.775 -7.382 1.00 12.12 C ATOM 394 CG PRO A 24 9.636 -9.704 -8.423 1.00 43.22 C ATOM 395 CD PRO A 24 10.394 -8.594 -7.731 1.00 51.23 C ATOM 0 HA PRO A 24 8.422 -10.036 -5.540 1.00 4.43 H new ATOM 0 HB2 PRO A 24 10.223 -11.517 -7.417 1.00 12.12 H new ATOM 0 HB3 PRO A 24 8.488 -11.306 -7.552 1.00 12.12 H new ATOM 0 HG2 PRO A 24 10.199 -10.091 -9.272 1.00 43.22 H new ATOM 0 HG3 PRO A 24 8.683 -9.343 -8.810 1.00 43.22 H new ATOM 0 HD2 PRO A 24 11.471 -8.753 -7.772 1.00 51.23 H new ATOM 0 HD3 PRO A 24 10.198 -7.624 -8.188 1.00 51.23 H new ATOM 403 N ASN A 25 11.549 -10.168 -4.830 1.00 34.31 N ATOM 404 CA ASN A 25 12.612 -10.710 -3.961 1.00 11.04 C ATOM 405 C ASN A 25 12.396 -10.340 -2.482 1.00 4.41 C ATOM 406 O ASN A 25 13.077 -10.874 -1.596 1.00 43.25 O ATOM 407 CB ASN A 25 13.983 -10.186 -4.452 1.00 1.45 C ATOM 408 CG ASN A 25 14.238 -10.516 -5.926 1.00 32.21 C ATOM 409 OD1 ASN A 25 13.916 -9.726 -6.817 1.00 11.33 O ATOM 410 ND2 ASN A 25 14.795 -11.690 -6.197 1.00 61.43 N ATOM 0 H ASN A 25 11.828 -9.319 -5.322 1.00 34.31 H new ATOM 0 HA ASN A 25 12.583 -11.798 -4.024 1.00 11.04 H new ATOM 0 HB2 ASN A 25 14.028 -9.106 -4.311 1.00 1.45 H new ATOM 0 HB3 ASN A 25 14.775 -10.621 -3.842 1.00 1.45 H new ATOM 0 HD21 ASN A 25 14.968 -11.961 -7.165 1.00 61.43 H new ATOM 0 HD22 ASN A 25 15.050 -12.321 -5.437 1.00 61.43 H new ATOM 417 N SER A 26 11.449 -9.428 -2.223 1.00 62.41 N ATOM 418 CA SER A 26 11.141 -8.937 -0.868 1.00 2.51 C ATOM 419 C SER A 26 9.838 -9.538 -0.331 1.00 2.11 C ATOM 420 O SER A 26 8.975 -9.986 -1.098 1.00 72.10 O ATOM 421 CB SER A 26 11.020 -7.398 -0.880 1.00 51.51 C ATOM 422 OG SER A 26 10.033 -6.940 -1.792 1.00 60.23 O ATOM 0 H SER A 26 10.871 -9.006 -2.950 1.00 62.41 H new ATOM 0 HA SER A 26 11.957 -9.245 -0.214 1.00 2.51 H new ATOM 0 HB2 SER A 26 10.775 -7.048 0.123 1.00 51.51 H new ATOM 0 HB3 SER A 26 11.984 -6.962 -1.143 1.00 51.51 H new ATOM 0 HG SER A 26 10.151 -7.390 -2.655 1.00 60.23 H new ATOM 428 N LYS A 27 9.718 -9.551 1.005 1.00 54.31 N ATOM 429 CA LYS A 27 8.445 -9.773 1.698 1.00 30.35 C ATOM 430 C LYS A 27 7.930 -8.426 2.201 1.00 21.12 C ATOM 431 O LYS A 27 8.645 -7.702 2.908 1.00 52.00 O ATOM 432 CB LYS A 27 8.599 -10.782 2.866 1.00 25.43 C ATOM 433 CG LYS A 27 8.978 -12.239 2.473 1.00 34.24 C ATOM 434 CD LYS A 27 7.825 -13.085 1.849 1.00 33.11 C ATOM 435 CE LYS A 27 7.510 -12.769 0.374 1.00 62.42 C ATOM 436 NZ LYS A 27 8.718 -12.868 -0.487 1.00 1.02 N ATOM 0 H LYS A 27 10.506 -9.407 1.636 1.00 54.31 H new ATOM 0 HA LYS A 27 7.727 -10.209 1.003 1.00 30.35 H new ATOM 0 HB2 LYS A 27 9.360 -10.403 3.548 1.00 25.43 H new ATOM 0 HB3 LYS A 27 7.661 -10.810 3.420 1.00 25.43 H new ATOM 0 HG2 LYS A 27 9.804 -12.203 1.763 1.00 34.24 H new ATOM 0 HG3 LYS A 27 9.344 -12.754 3.362 1.00 34.24 H new ATOM 0 HD2 LYS A 27 8.084 -14.141 1.932 1.00 33.11 H new ATOM 0 HD3 LYS A 27 6.921 -12.931 2.439 1.00 33.11 H new ATOM 0 HE2 LYS A 27 6.748 -13.458 0.010 1.00 62.42 H new ATOM 0 HE3 LYS A 27 7.093 -11.765 0.299 1.00 62.42 H new ATOM 0 HZ1 LYS A 27 9.027 -11.914 -0.762 1.00 1.02 H new ATOM 0 HZ2 LYS A 27 9.481 -13.341 0.038 1.00 1.02 H new ATOM 0 HZ3 LYS A 27 8.492 -13.418 -1.340 1.00 1.02 H new ATOM 450 N VAL A 28 6.701 -8.094 1.794 1.00 43.42 N ATOM 451 CA VAL A 28 6.043 -6.833 2.137 1.00 14.20 C ATOM 452 C VAL A 28 5.026 -7.062 3.276 1.00 51.54 C ATOM 453 O VAL A 28 4.046 -7.797 3.111 1.00 72.23 O ATOM 454 CB VAL A 28 5.326 -6.200 0.880 1.00 72.54 C ATOM 455 CG1 VAL A 28 4.691 -4.842 1.245 1.00 32.03 C ATOM 456 CG2 VAL A 28 6.305 -6.052 -0.314 1.00 12.13 C ATOM 0 H VAL A 28 6.129 -8.703 1.209 1.00 43.42 H new ATOM 0 HA VAL A 28 6.806 -6.131 2.474 1.00 14.20 H new ATOM 0 HB VAL A 28 4.531 -6.878 0.570 1.00 72.54 H new ATOM 0 HG11 VAL A 28 4.202 -4.421 0.367 1.00 32.03 H new ATOM 0 HG12 VAL A 28 3.955 -4.985 2.036 1.00 32.03 H new ATOM 0 HG13 VAL A 28 5.467 -4.159 1.590 1.00 32.03 H new ATOM 0 HG21 VAL A 28 5.780 -5.614 -1.163 1.00 12.13 H new ATOM 0 HG22 VAL A 28 7.134 -5.405 -0.027 1.00 12.13 H new ATOM 0 HG23 VAL A 28 6.690 -7.033 -0.593 1.00 12.13 H new ATOM 466 N GLN A 29 5.307 -6.463 4.435 1.00 64.22 N ATOM 467 CA GLN A 29 4.390 -6.406 5.582 1.00 2.30 C ATOM 468 C GLN A 29 3.578 -5.084 5.505 1.00 40.42 C ATOM 469 O GLN A 29 3.918 -4.201 4.718 1.00 10.24 O ATOM 470 CB GLN A 29 5.250 -6.485 6.884 1.00 70.01 C ATOM 471 CG GLN A 29 4.476 -6.478 8.218 1.00 74.31 C ATOM 472 CD GLN A 29 3.478 -7.630 8.356 1.00 71.10 C ATOM 473 OE1 GLN A 29 2.306 -7.506 7.999 1.00 62.11 O ATOM 474 NE2 GLN A 29 3.929 -8.757 8.867 1.00 62.22 N ATOM 0 H GLN A 29 6.196 -5.994 4.609 1.00 64.22 H new ATOM 0 HA GLN A 29 3.681 -7.234 5.578 1.00 2.30 H new ATOM 0 HB2 GLN A 29 5.851 -7.394 6.842 1.00 70.01 H new ATOM 0 HB3 GLN A 29 5.944 -5.644 6.887 1.00 70.01 H new ATOM 0 HG2 GLN A 29 5.188 -6.526 9.042 1.00 74.31 H new ATOM 0 HG3 GLN A 29 3.942 -5.533 8.313 1.00 74.31 H new ATOM 0 HE21 GLN A 29 4.905 -8.832 9.154 1.00 62.22 H new ATOM 0 HE22 GLN A 29 3.303 -9.555 8.975 1.00 62.22 H new ATOM 483 N VAL A 30 2.482 -4.972 6.273 1.00 40.21 N ATOM 484 CA VAL A 30 1.822 -3.672 6.526 1.00 11.12 C ATOM 485 C VAL A 30 2.573 -2.939 7.658 1.00 34.25 C ATOM 486 O VAL A 30 2.899 -3.535 8.692 1.00 60.21 O ATOM 487 CB VAL A 30 0.289 -3.824 6.881 1.00 14.14 C ATOM 488 CG1 VAL A 30 0.046 -4.816 8.043 1.00 21.44 C ATOM 489 CG2 VAL A 30 -0.347 -2.439 7.180 1.00 40.14 C ATOM 0 H VAL A 30 2.031 -5.764 6.731 1.00 40.21 H new ATOM 0 HA VAL A 30 1.865 -3.088 5.607 1.00 11.12 H new ATOM 0 HB VAL A 30 -0.202 -4.247 6.005 1.00 14.14 H new ATOM 0 HG11 VAL A 30 -1.023 -4.883 8.246 1.00 21.44 H new ATOM 0 HG12 VAL A 30 0.426 -5.800 7.767 1.00 21.44 H new ATOM 0 HG13 VAL A 30 0.564 -4.465 8.936 1.00 21.44 H new ATOM 0 HG21 VAL A 30 -1.402 -2.568 7.422 1.00 40.14 H new ATOM 0 HG22 VAL A 30 0.165 -1.978 8.025 1.00 40.14 H new ATOM 0 HG23 VAL A 30 -0.251 -1.798 6.304 1.00 40.14 H new ATOM 499 N ARG A 31 2.869 -1.654 7.435 1.00 24.52 N ATOM 500 CA ARG A 31 3.591 -0.807 8.405 1.00 10.44 C ATOM 501 C ARG A 31 2.591 0.096 9.163 1.00 64.45 C ATOM 502 O ARG A 31 2.665 0.234 10.394 1.00 14.24 O ATOM 503 CB ARG A 31 4.653 0.040 7.650 1.00 52.15 C ATOM 504 CG ARG A 31 5.469 1.020 8.519 1.00 64.41 C ATOM 505 CD ARG A 31 6.464 0.335 9.474 1.00 21.31 C ATOM 506 NE ARG A 31 7.233 1.332 10.234 1.00 14.32 N ATOM 507 CZ ARG A 31 8.376 1.102 10.902 1.00 3.34 C ATOM 508 NH1 ARG A 31 8.938 -0.109 10.929 1.00 72.20 N ATOM 509 NH2 ARG A 31 8.971 2.104 11.533 1.00 45.23 N ATOM 0 H ARG A 31 2.616 -1.166 6.576 1.00 24.52 H new ATOM 0 HA ARG A 31 4.100 -1.432 9.139 1.00 10.44 H new ATOM 0 HB2 ARG A 31 5.346 -0.639 7.153 1.00 52.15 H new ATOM 0 HB3 ARG A 31 4.149 0.609 6.869 1.00 52.15 H new ATOM 0 HG2 ARG A 31 6.018 1.698 7.865 1.00 64.41 H new ATOM 0 HG3 ARG A 31 4.781 1.629 9.105 1.00 64.41 H new ATOM 0 HD2 ARG A 31 5.925 -0.316 10.162 1.00 21.31 H new ATOM 0 HD3 ARG A 31 7.144 -0.298 8.904 1.00 21.31 H new ATOM 0 HE ARG A 31 6.866 2.283 10.256 1.00 14.32 H new ATOM 0 HH11 ARG A 31 8.499 -0.886 10.435 1.00 72.20 H new ATOM 0 HH12 ARG A 31 9.806 -0.257 11.444 1.00 72.20 H new ATOM 0 HH21 ARG A 31 8.561 3.038 11.508 1.00 45.23 H new ATOM 0 HH22 ARG A 31 9.839 1.942 12.043 1.00 45.23 H new ATOM 523 N ARG A 32 1.649 0.688 8.400 1.00 33.13 N ATOM 524 CA ARG A 32 0.668 1.669 8.914 1.00 43.53 C ATOM 525 C ARG A 32 -0.421 1.873 7.828 1.00 64.15 C ATOM 526 O ARG A 32 -0.154 1.678 6.643 1.00 35.34 O ATOM 527 CB ARG A 32 1.413 3.015 9.274 1.00 3.50 C ATOM 528 CG ARG A 32 0.889 3.790 10.513 1.00 43.00 C ATOM 529 CD ARG A 32 -0.487 4.451 10.325 1.00 5.44 C ATOM 530 NE ARG A 32 -0.913 5.156 11.552 1.00 32.14 N ATOM 531 CZ ARG A 32 -2.126 5.064 12.121 1.00 20.31 C ATOM 532 NH1 ARG A 32 -3.073 4.296 11.595 1.00 44.25 N ATOM 533 NH2 ARG A 32 -2.385 5.760 13.221 1.00 64.22 N ATOM 0 H ARG A 32 1.546 0.498 7.403 1.00 33.13 H new ATOM 0 HA ARG A 32 0.187 1.313 9.825 1.00 43.53 H new ATOM 0 HB2 ARG A 32 2.467 2.788 9.435 1.00 3.50 H new ATOM 0 HB3 ARG A 32 1.357 3.677 8.410 1.00 3.50 H new ATOM 0 HG2 ARG A 32 0.834 3.103 11.357 1.00 43.00 H new ATOM 0 HG3 ARG A 32 1.614 4.561 10.776 1.00 43.00 H new ATOM 0 HD2 ARG A 32 -0.445 5.155 9.494 1.00 5.44 H new ATOM 0 HD3 ARG A 32 -1.225 3.693 10.063 1.00 5.44 H new ATOM 0 HE ARG A 32 -0.229 5.763 12.004 1.00 32.14 H new ATOM 0 HH11 ARG A 32 -2.885 3.764 10.745 1.00 44.25 H new ATOM 0 HH12 ARG A 32 -3.989 4.238 12.041 1.00 44.25 H new ATOM 0 HH21 ARG A 32 -1.666 6.358 13.627 1.00 64.22 H new ATOM 0 HH22 ARG A 32 -3.303 5.697 13.660 1.00 64.22 H new ATOM 547 N VAL A 33 -1.660 2.208 8.236 1.00 42.32 N ATOM 548 CA VAL A 33 -2.776 2.514 7.303 1.00 22.40 C ATOM 549 C VAL A 33 -3.429 3.854 7.710 1.00 4.34 C ATOM 550 O VAL A 33 -3.746 4.050 8.888 1.00 21.40 O ATOM 551 CB VAL A 33 -3.878 1.376 7.298 1.00 12.05 C ATOM 552 CG1 VAL A 33 -5.037 1.708 6.330 1.00 60.33 C ATOM 553 CG2 VAL A 33 -3.275 -0.006 6.964 1.00 50.54 C ATOM 0 H VAL A 33 -1.921 2.276 9.220 1.00 42.32 H new ATOM 0 HA VAL A 33 -2.360 2.579 6.298 1.00 22.40 H new ATOM 0 HB VAL A 33 -4.283 1.330 8.309 1.00 12.05 H new ATOM 0 HG11 VAL A 33 -5.773 0.904 6.354 1.00 60.33 H new ATOM 0 HG12 VAL A 33 -5.509 2.642 6.635 1.00 60.33 H new ATOM 0 HG13 VAL A 33 -4.647 1.812 5.318 1.00 60.33 H new ATOM 0 HG21 VAL A 33 -4.064 -0.758 6.971 1.00 50.54 H new ATOM 0 HG22 VAL A 33 -2.814 0.027 5.977 1.00 50.54 H new ATOM 0 HG23 VAL A 33 -2.521 -0.264 7.708 1.00 50.54 H new ATOM 563 N GLN A 34 -3.620 4.766 6.736 1.00 64.13 N ATOM 564 CA GLN A 34 -4.288 6.073 6.942 1.00 42.45 C ATOM 565 C GLN A 34 -5.508 6.189 6.007 1.00 3.12 C ATOM 566 O GLN A 34 -5.337 6.337 4.803 1.00 44.31 O ATOM 567 CB GLN A 34 -3.278 7.234 6.637 1.00 70.11 C ATOM 568 CG GLN A 34 -2.124 7.373 7.647 1.00 11.23 C ATOM 569 CD GLN A 34 -2.566 7.953 8.990 1.00 11.45 C ATOM 570 OE1 GLN A 34 -2.550 9.171 9.192 1.00 31.13 O ATOM 571 NE2 GLN A 34 -2.985 7.097 9.907 1.00 60.24 N ATOM 0 H GLN A 34 -3.313 4.618 5.775 1.00 64.13 H new ATOM 0 HA GLN A 34 -4.622 6.146 7.977 1.00 42.45 H new ATOM 0 HB2 GLN A 34 -2.856 7.077 5.645 1.00 70.11 H new ATOM 0 HB3 GLN A 34 -3.828 8.175 6.604 1.00 70.11 H new ATOM 0 HG2 GLN A 34 -1.674 6.394 7.812 1.00 11.23 H new ATOM 0 HG3 GLN A 34 -1.351 8.011 7.220 1.00 11.23 H new ATOM 0 HE21 GLN A 34 -2.986 6.097 9.708 1.00 60.24 H new ATOM 0 HE22 GLN A 34 -3.308 7.437 10.813 1.00 60.24 H new ATOM 580 N LYS A 35 -6.734 6.112 6.560 1.00 61.12 N ATOM 581 CA LYS A 35 -7.973 6.385 5.799 1.00 41.23 C ATOM 582 C LYS A 35 -8.330 7.875 5.969 1.00 21.51 C ATOM 583 O LYS A 35 -8.702 8.312 7.061 1.00 4.11 O ATOM 584 CB LYS A 35 -9.134 5.454 6.280 1.00 60.03 C ATOM 585 CG LYS A 35 -10.548 5.830 5.754 1.00 5.33 C ATOM 586 CD LYS A 35 -10.674 5.803 4.212 1.00 30.53 C ATOM 587 CE LYS A 35 -12.029 6.331 3.717 1.00 51.02 C ATOM 588 NZ LYS A 35 -13.175 5.554 4.262 1.00 74.34 N ATOM 0 H LYS A 35 -6.895 5.862 7.536 1.00 61.12 H new ATOM 0 HA LYS A 35 -7.818 6.173 4.741 1.00 41.23 H new ATOM 0 HB2 LYS A 35 -8.910 4.433 5.973 1.00 60.03 H new ATOM 0 HB3 LYS A 35 -9.156 5.461 7.370 1.00 60.03 H new ATOM 0 HG2 LYS A 35 -11.278 5.141 6.180 1.00 5.33 H new ATOM 0 HG3 LYS A 35 -10.804 6.827 6.112 1.00 5.33 H new ATOM 0 HD2 LYS A 35 -9.874 6.402 3.776 1.00 30.53 H new ATOM 0 HD3 LYS A 35 -10.536 4.781 3.858 1.00 30.53 H new ATOM 0 HE2 LYS A 35 -12.134 7.377 4.003 1.00 51.02 H new ATOM 0 HE3 LYS A 35 -12.054 6.294 2.628 1.00 51.02 H new ATOM 0 HZ1 LYS A 35 -13.947 5.540 3.566 1.00 74.34 H new ATOM 0 HZ2 LYS A 35 -12.871 4.580 4.461 1.00 74.34 H new ATOM 0 HZ3 LYS A 35 -13.509 5.998 5.141 1.00 74.34 H new ATOM 602 N GLN A 36 -8.175 8.646 4.884 1.00 62.22 N ATOM 603 CA GLN A 36 -8.427 10.096 4.868 1.00 64.44 C ATOM 604 C GLN A 36 -9.482 10.425 3.796 1.00 22.32 C ATOM 605 O GLN A 36 -9.144 10.608 2.620 1.00 14.02 O ATOM 606 CB GLN A 36 -7.101 10.866 4.604 1.00 32.14 C ATOM 607 CG GLN A 36 -7.245 12.395 4.659 1.00 43.42 C ATOM 608 CD GLN A 36 -5.922 13.129 4.467 1.00 13.11 C ATOM 609 OE1 GLN A 36 -5.210 13.389 5.557 1.00 40.40 O flip ATOM 610 NE2 GLN A 36 -5.527 13.449 3.342 1.00 64.35 N flip ATOM 0 H GLN A 36 -7.868 8.278 3.983 1.00 62.22 H new ATOM 0 HA GLN A 36 -8.811 10.410 5.839 1.00 64.44 H new ATOM 0 HB2 GLN A 36 -6.359 10.554 5.339 1.00 32.14 H new ATOM 0 HB3 GLN A 36 -6.717 10.582 3.624 1.00 32.14 H new ATOM 0 HG2 GLN A 36 -7.946 12.716 3.889 1.00 43.42 H new ATOM 0 HG3 GLN A 36 -7.675 12.679 5.620 1.00 43.42 H new ATOM 0 HE21 GLN A 36 -6.095 13.236 2.522 1.00 64.35 H new ATOM 0 HE22 GLN A 36 -4.632 13.926 3.232 1.00 64.35 H new ATOM 619 N GLY A 37 -10.764 10.409 4.211 1.00 34.41 N ATOM 620 CA GLY A 37 -11.891 10.828 3.369 1.00 54.53 C ATOM 621 C GLY A 37 -12.141 9.925 2.161 1.00 33.15 C ATOM 622 O GLY A 37 -12.966 9.010 2.215 1.00 21.14 O ATOM 0 H GLY A 37 -11.043 10.103 5.143 1.00 34.41 H new ATOM 0 HA2 GLY A 37 -12.794 10.858 3.979 1.00 54.53 H new ATOM 0 HA3 GLY A 37 -11.709 11.844 3.018 1.00 54.53 H new ATOM 626 N ASN A 38 -11.416 10.199 1.061 1.00 64.00 N ATOM 627 CA ASN A 38 -11.568 9.498 -0.235 1.00 54.04 C ATOM 628 C ASN A 38 -10.275 8.763 -0.646 1.00 53.00 C ATOM 629 O ASN A 38 -10.213 8.199 -1.735 1.00 2.24 O ATOM 630 CB ASN A 38 -11.989 10.506 -1.354 1.00 55.32 C ATOM 631 CG ASN A 38 -13.398 11.110 -1.180 1.00 24.33 C ATOM 632 OD1 ASN A 38 -13.893 11.305 -0.070 1.00 0.44 O ATOM 633 ND2 ASN A 38 -14.059 11.407 -2.290 1.00 52.13 N ATOM 0 H ASN A 38 -10.697 10.923 1.043 1.00 64.00 H new ATOM 0 HA ASN A 38 -12.351 8.750 -0.110 1.00 54.04 H new ATOM 0 HB2 ASN A 38 -11.262 11.317 -1.386 1.00 55.32 H new ATOM 0 HB3 ASN A 38 -11.942 9.999 -2.318 1.00 55.32 H new ATOM 0 HD21 ASN A 38 -14.996 11.805 -2.234 1.00 52.13 H new ATOM 0 HD22 ASN A 38 -13.630 11.237 -3.200 1.00 52.13 H new ATOM 640 N THR A 39 -9.243 8.764 0.221 1.00 53.42 N ATOM 641 CA THR A 39 -7.915 8.194 -0.110 1.00 22.11 C ATOM 642 C THR A 39 -7.300 7.480 1.109 1.00 23.33 C ATOM 643 O THR A 39 -7.078 8.102 2.157 1.00 62.15 O ATOM 644 CB THR A 39 -6.939 9.318 -0.607 1.00 44.13 C ATOM 645 OG1 THR A 39 -7.532 10.026 -1.711 1.00 1.01 O ATOM 646 CG2 THR A 39 -5.564 8.757 -1.041 1.00 51.40 C ATOM 0 H THR A 39 -9.301 9.155 1.161 1.00 53.42 H new ATOM 0 HA THR A 39 -8.058 7.465 -0.908 1.00 22.11 H new ATOM 0 HB THR A 39 -6.772 9.992 0.233 1.00 44.13 H new ATOM 0 HG1 THR A 39 -6.920 10.727 -2.017 1.00 1.01 H new ATOM 0 HG21 THR A 39 -4.927 9.575 -1.376 1.00 51.40 H new ATOM 0 HG22 THR A 39 -5.094 8.253 -0.197 1.00 51.40 H new ATOM 0 HG23 THR A 39 -5.702 8.047 -1.856 1.00 51.40 H new ATOM 654 N ILE A 40 -7.044 6.170 0.961 1.00 22.11 N ATOM 655 CA ILE A 40 -6.302 5.379 1.952 1.00 10.05 C ATOM 656 C ILE A 40 -4.816 5.319 1.562 1.00 51.21 C ATOM 657 O ILE A 40 -4.453 4.646 0.598 1.00 4.13 O ATOM 658 CB ILE A 40 -6.851 3.912 2.085 1.00 53.14 C ATOM 659 CG1 ILE A 40 -8.385 3.928 2.307 1.00 23.11 C ATOM 660 CG2 ILE A 40 -6.130 3.160 3.230 1.00 0.01 C ATOM 661 CD1 ILE A 40 -9.010 2.572 2.533 1.00 22.45 C ATOM 0 H ILE A 40 -7.347 5.631 0.150 1.00 22.11 H new ATOM 0 HA ILE A 40 -6.430 5.874 2.915 1.00 10.05 H new ATOM 0 HB ILE A 40 -6.648 3.379 1.156 1.00 53.14 H new ATOM 0 HG12 ILE A 40 -8.606 4.561 3.166 1.00 23.11 H new ATOM 0 HG13 ILE A 40 -8.858 4.390 1.440 1.00 23.11 H new ATOM 0 HG21 ILE A 40 -6.525 2.147 3.305 1.00 0.01 H new ATOM 0 HG22 ILE A 40 -5.061 3.118 3.021 1.00 0.01 H new ATOM 0 HG23 ILE A 40 -6.296 3.685 4.171 1.00 0.01 H new ATOM 0 HD11 ILE A 40 -10.084 2.686 2.678 1.00 22.45 H new ATOM 0 HD12 ILE A 40 -8.826 1.938 1.666 1.00 22.45 H new ATOM 0 HD13 ILE A 40 -8.571 2.112 3.418 1.00 22.45 H new ATOM 673 N ARG A 41 -3.978 6.028 2.314 1.00 72.25 N ATOM 674 CA ARG A 41 -2.521 5.986 2.159 1.00 1.45 C ATOM 675 C ARG A 41 -1.995 4.872 3.074 1.00 3.54 C ATOM 676 O ARG A 41 -1.947 5.048 4.296 1.00 41.23 O ATOM 677 CB ARG A 41 -1.906 7.358 2.549 1.00 61.44 C ATOM 678 CG ARG A 41 -2.597 8.579 1.912 1.00 61.24 C ATOM 679 CD ARG A 41 -2.014 9.909 2.426 1.00 1.44 C ATOM 680 NE ARG A 41 -1.846 9.903 3.897 1.00 14.44 N ATOM 681 CZ ARG A 41 -2.268 10.848 4.750 1.00 64.23 C ATOM 682 NH1 ARG A 41 -2.915 11.939 4.329 1.00 73.25 N ATOM 683 NH2 ARG A 41 -2.016 10.696 6.043 1.00 40.13 N ATOM 0 H ARG A 41 -4.291 6.654 3.056 1.00 72.25 H new ATOM 0 HA ARG A 41 -2.244 5.784 1.124 1.00 1.45 H new ATOM 0 HB2 ARG A 41 -1.943 7.462 3.633 1.00 61.44 H new ATOM 0 HB3 ARG A 41 -0.854 7.363 2.264 1.00 61.44 H new ATOM 0 HG2 ARG A 41 -2.489 8.531 0.828 1.00 61.24 H new ATOM 0 HG3 ARG A 41 -3.665 8.544 2.128 1.00 61.24 H new ATOM 0 HD2 ARG A 41 -1.050 10.091 1.951 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -2.671 10.729 2.138 1.00 1.44 H new ATOM 0 HE ARG A 41 -1.362 9.101 4.301 1.00 14.44 H new ATOM 0 HH11 ARG A 41 -3.100 12.070 3.335 1.00 73.25 H new ATOM 0 HH12 ARG A 41 -3.224 12.640 5.002 1.00 73.25 H new ATOM 0 HH21 ARG A 41 -1.511 9.873 6.371 1.00 40.13 H new ATOM 0 HH22 ARG A 41 -2.328 11.402 6.710 1.00 40.13 H new ATOM 697 N VAL A 42 -1.711 3.701 2.495 1.00 2.35 N ATOM 698 CA VAL A 42 -1.164 2.560 3.245 1.00 75.35 C ATOM 699 C VAL A 42 0.363 2.623 3.199 1.00 62.43 C ATOM 700 O VAL A 42 0.954 2.591 2.123 1.00 61.50 O ATOM 701 CB VAL A 42 -1.652 1.167 2.680 1.00 41.42 C ATOM 702 CG1 VAL A 42 -1.161 -0.014 3.555 1.00 3.12 C ATOM 703 CG2 VAL A 42 -3.181 1.131 2.549 1.00 61.32 C ATOM 0 H VAL A 42 -1.851 3.515 1.502 1.00 2.35 H new ATOM 0 HA VAL A 42 -1.527 2.634 4.270 1.00 75.35 H new ATOM 0 HB VAL A 42 -1.213 1.053 1.689 1.00 41.42 H new ATOM 0 HG11 VAL A 42 -1.518 -0.953 3.132 1.00 3.12 H new ATOM 0 HG12 VAL A 42 -0.071 -0.019 3.581 1.00 3.12 H new ATOM 0 HG13 VAL A 42 -1.548 0.098 4.568 1.00 3.12 H new ATOM 0 HG21 VAL A 42 -3.490 0.162 2.158 1.00 61.32 H new ATOM 0 HG22 VAL A 42 -3.634 1.289 3.528 1.00 61.32 H new ATOM 0 HG23 VAL A 42 -3.506 1.917 1.868 1.00 61.32 H new ATOM 713 N GLU A 43 0.977 2.790 4.367 1.00 42.34 N ATOM 714 CA GLU A 43 2.413 2.602 4.554 1.00 53.35 C ATOM 715 C GLU A 43 2.675 1.092 4.662 1.00 21.22 C ATOM 716 O GLU A 43 2.020 0.401 5.452 1.00 33.14 O ATOM 717 CB GLU A 43 2.895 3.323 5.845 1.00 21.23 C ATOM 718 CG GLU A 43 2.765 4.871 5.853 1.00 23.41 C ATOM 719 CD GLU A 43 1.316 5.405 5.755 1.00 74.31 C ATOM 720 OE1 GLU A 43 0.956 5.991 4.709 1.00 73.44 O ATOM 721 OE2 GLU A 43 0.540 5.235 6.722 1.00 22.51 O ATOM 0 H GLU A 43 0.487 3.062 5.219 1.00 42.34 H new ATOM 0 HA GLU A 43 2.961 3.027 3.713 1.00 53.35 H new ATOM 0 HB2 GLU A 43 2.331 2.927 6.690 1.00 21.23 H new ATOM 0 HB3 GLU A 43 3.941 3.066 6.011 1.00 21.23 H new ATOM 0 HG2 GLU A 43 3.216 5.254 6.768 1.00 23.41 H new ATOM 0 HG3 GLU A 43 3.342 5.274 5.020 1.00 23.41 H new ATOM 728 N LEU A 44 3.591 0.569 3.850 1.00 63.41 N ATOM 729 CA LEU A 44 3.965 -0.854 3.898 1.00 64.22 C ATOM 730 C LEU A 44 5.472 -0.975 4.110 1.00 60.22 C ATOM 731 O LEU A 44 6.230 -0.078 3.757 1.00 1.45 O ATOM 732 CB LEU A 44 3.538 -1.617 2.614 1.00 34.43 C ATOM 733 CG LEU A 44 2.029 -1.488 2.183 1.00 73.40 C ATOM 734 CD1 LEU A 44 1.817 -0.316 1.208 1.00 11.30 C ATOM 735 CD2 LEU A 44 1.475 -2.801 1.595 1.00 43.24 C ATOM 0 H LEU A 44 4.094 1.108 3.145 1.00 63.41 H new ATOM 0 HA LEU A 44 3.434 -1.313 4.732 1.00 64.22 H new ATOM 0 HB2 LEU A 44 4.159 -1.268 1.789 1.00 34.43 H new ATOM 0 HB3 LEU A 44 3.762 -2.674 2.756 1.00 34.43 H new ATOM 0 HG LEU A 44 1.464 -1.277 3.091 1.00 73.40 H new ATOM 0 HD11 LEU A 44 0.764 -0.258 0.932 1.00 11.30 H new ATOM 0 HD12 LEU A 44 2.119 0.615 1.687 1.00 11.30 H new ATOM 0 HD13 LEU A 44 2.418 -0.474 0.313 1.00 11.30 H new ATOM 0 HD21 LEU A 44 0.431 -2.662 1.313 1.00 43.24 H new ATOM 0 HD22 LEU A 44 2.055 -3.079 0.715 1.00 43.24 H new ATOM 0 HD23 LEU A 44 1.546 -3.592 2.341 1.00 43.24 H new ATOM 747 N GLU A 45 5.888 -2.097 4.686 1.00 74.43 N ATOM 748 CA GLU A 45 7.284 -2.362 5.015 1.00 22.51 C ATOM 749 C GLU A 45 7.838 -3.414 4.034 1.00 2.10 C ATOM 750 O GLU A 45 7.527 -4.598 4.136 1.00 54.42 O ATOM 751 CB GLU A 45 7.331 -2.846 6.489 1.00 54.45 C ATOM 752 CG GLU A 45 8.729 -3.194 7.026 1.00 50.44 C ATOM 753 CD GLU A 45 8.729 -3.493 8.538 1.00 71.24 C ATOM 754 OE1 GLU A 45 8.713 -4.674 8.931 1.00 40.00 O ATOM 755 OE2 GLU A 45 8.759 -2.539 9.343 1.00 25.55 O ATOM 0 H GLU A 45 5.258 -2.858 4.941 1.00 74.43 H new ATOM 0 HA GLU A 45 7.906 -1.472 4.919 1.00 22.51 H new ATOM 0 HB2 GLU A 45 6.900 -2.070 7.122 1.00 54.45 H new ATOM 0 HB3 GLU A 45 6.694 -3.726 6.585 1.00 54.45 H new ATOM 0 HG2 GLU A 45 9.115 -4.060 6.489 1.00 50.44 H new ATOM 0 HG3 GLU A 45 9.408 -2.365 6.824 1.00 50.44 H new ATOM 762 N LEU A 46 8.648 -2.952 3.075 1.00 11.12 N ATOM 763 CA LEU A 46 9.260 -3.793 2.029 1.00 33.34 C ATOM 764 C LEU A 46 10.718 -4.077 2.431 1.00 14.11 C ATOM 765 O LEU A 46 11.474 -3.143 2.712 1.00 51.23 O ATOM 766 CB LEU A 46 9.141 -3.054 0.651 1.00 52.24 C ATOM 767 CG LEU A 46 9.740 -3.767 -0.622 1.00 64.21 C ATOM 768 CD1 LEU A 46 9.010 -3.342 -1.917 1.00 31.14 C ATOM 769 CD2 LEU A 46 11.254 -3.496 -0.772 1.00 20.41 C ATOM 0 H LEU A 46 8.904 -1.968 2.999 1.00 11.12 H new ATOM 0 HA LEU A 46 8.750 -4.751 1.927 1.00 33.34 H new ATOM 0 HB2 LEU A 46 8.084 -2.866 0.463 1.00 52.24 H new ATOM 0 HB3 LEU A 46 9.625 -2.083 0.749 1.00 52.24 H new ATOM 0 HG LEU A 46 9.589 -4.836 -0.471 1.00 64.21 H new ATOM 0 HD11 LEU A 46 9.453 -3.856 -2.770 1.00 31.14 H new ATOM 0 HD12 LEU A 46 7.955 -3.605 -1.843 1.00 31.14 H new ATOM 0 HD13 LEU A 46 9.106 -2.265 -2.052 1.00 31.14 H new ATOM 0 HD21 LEU A 46 11.628 -4.004 -1.661 1.00 20.41 H new ATOM 0 HD22 LEU A 46 11.424 -2.424 -0.869 1.00 20.41 H new ATOM 0 HD23 LEU A 46 11.779 -3.868 0.108 1.00 20.41 H new ATOM 781 N ARG A 47 11.110 -5.366 2.469 1.00 45.25 N ATOM 782 CA ARG A 47 12.442 -5.789 2.970 1.00 64.32 C ATOM 783 C ARG A 47 13.182 -6.647 1.917 1.00 72.00 C ATOM 784 O ARG A 47 12.881 -7.837 1.766 1.00 51.53 O ATOM 785 CB ARG A 47 12.261 -6.573 4.303 1.00 22.00 C ATOM 786 CG ARG A 47 11.566 -5.764 5.428 1.00 30.10 C ATOM 787 CD ARG A 47 11.279 -6.597 6.686 1.00 24.11 C ATOM 788 NE ARG A 47 12.508 -7.099 7.319 1.00 41.32 N ATOM 789 CZ ARG A 47 12.561 -7.775 8.480 1.00 31.42 C ATOM 790 NH1 ARG A 47 11.449 -8.052 9.170 1.00 74.14 N ATOM 791 NH2 ARG A 47 13.734 -8.187 8.946 1.00 13.40 N ATOM 0 H ARG A 47 10.522 -6.139 2.158 1.00 45.25 H new ATOM 0 HA ARG A 47 13.053 -4.906 3.155 1.00 64.32 H new ATOM 0 HB2 ARG A 47 11.679 -7.473 4.106 1.00 22.00 H new ATOM 0 HB3 ARG A 47 13.240 -6.898 4.656 1.00 22.00 H new ATOM 0 HG2 ARG A 47 12.195 -4.916 5.698 1.00 30.10 H new ATOM 0 HG3 ARG A 47 10.629 -5.358 5.048 1.00 30.10 H new ATOM 0 HD2 ARG A 47 10.727 -5.989 7.403 1.00 24.11 H new ATOM 0 HD3 ARG A 47 10.639 -7.439 6.423 1.00 24.11 H new ATOM 0 HE ARG A 47 13.390 -6.920 6.839 1.00 41.32 H new ATOM 0 HH11 ARG A 47 10.541 -7.749 8.817 1.00 74.14 H new ATOM 0 HH12 ARG A 47 11.509 -8.566 10.049 1.00 74.14 H new ATOM 0 HH21 ARG A 47 14.588 -7.990 8.424 1.00 13.40 H new ATOM 0 HH22 ARG A 47 13.781 -8.700 9.826 1.00 13.40 H new ATOM 805 N THR A 48 14.149 -6.034 1.189 1.00 4.42 N ATOM 806 CA THR A 48 14.910 -6.716 0.114 1.00 54.41 C ATOM 807 C THR A 48 16.373 -6.924 0.556 1.00 20.24 C ATOM 808 O THR A 48 17.067 -5.948 0.854 1.00 54.35 O ATOM 809 CB THR A 48 14.896 -5.894 -1.224 1.00 30.20 C ATOM 810 OG1 THR A 48 13.562 -5.484 -1.542 1.00 61.12 O ATOM 811 CG2 THR A 48 15.461 -6.707 -2.412 1.00 61.14 C ATOM 0 H THR A 48 14.421 -5.061 1.330 1.00 4.42 H new ATOM 0 HA THR A 48 14.427 -7.676 -0.066 1.00 54.41 H new ATOM 0 HB THR A 48 15.533 -5.023 -1.066 1.00 30.20 H new ATOM 0 HG1 THR A 48 13.308 -5.847 -2.416 1.00 61.12 H new ATOM 0 HG21 THR A 48 15.432 -6.099 -3.316 1.00 61.14 H new ATOM 0 HG22 THR A 48 16.491 -6.993 -2.200 1.00 61.14 H new ATOM 0 HG23 THR A 48 14.859 -7.604 -2.558 1.00 61.14 H new ATOM 819 N ASN A 49 16.806 -8.202 0.628 1.00 54.44 N ATOM 820 CA ASN A 49 18.212 -8.599 0.882 1.00 43.31 C ATOM 821 C ASN A 49 18.712 -8.102 2.269 1.00 65.04 C ATOM 822 O ASN A 49 19.916 -7.979 2.511 1.00 70.00 O ATOM 823 CB ASN A 49 19.115 -8.134 -0.317 1.00 41.40 C ATOM 824 CG ASN A 49 20.532 -8.727 -0.314 1.00 11.44 C ATOM 825 OD1 ASN A 49 21.495 -8.086 0.117 1.00 2.42 O ATOM 826 ND2 ASN A 49 20.667 -9.964 -0.768 1.00 24.33 N ATOM 0 H ASN A 49 16.181 -8.999 0.510 1.00 54.44 H new ATOM 0 HA ASN A 49 18.276 -9.686 0.935 1.00 43.31 H new ATOM 0 HB2 ASN A 49 18.624 -8.404 -1.252 1.00 41.40 H new ATOM 0 HB3 ASN A 49 19.190 -7.047 -0.299 1.00 41.40 H new ATOM 0 HD21 ASN A 49 21.584 -10.410 -0.767 1.00 24.33 H new ATOM 0 HD22 ASN A 49 19.854 -10.470 -1.118 1.00 24.33 H new ATOM 833 N GLY A 50 17.760 -7.870 3.202 1.00 23.13 N ATOM 834 CA GLY A 50 18.071 -7.419 4.565 1.00 62.25 C ATOM 835 C GLY A 50 17.905 -5.913 4.761 1.00 51.15 C ATOM 836 O GLY A 50 17.880 -5.451 5.907 1.00 52.32 O ATOM 0 H GLY A 50 16.763 -7.991 3.026 1.00 23.13 H new ATOM 0 HA2 GLY A 50 17.424 -7.943 5.269 1.00 62.25 H new ATOM 0 HA3 GLY A 50 19.097 -7.698 4.806 1.00 62.25 H new ATOM 840 N LYS A 51 17.803 -5.128 3.656 1.00 51.11 N ATOM 841 CA LYS A 51 17.495 -3.680 3.751 1.00 11.41 C ATOM 842 C LYS A 51 15.973 -3.511 3.925 1.00 14.42 C ATOM 843 O LYS A 51 15.195 -4.317 3.410 1.00 2.43 O ATOM 844 CB LYS A 51 18.045 -2.866 2.509 1.00 43.41 C ATOM 845 CG LYS A 51 17.158 -2.750 1.223 1.00 34.10 C ATOM 846 CD LYS A 51 16.132 -1.579 1.258 1.00 12.24 C ATOM 847 CE LYS A 51 15.354 -1.418 -0.061 1.00 4.42 C ATOM 848 NZ LYS A 51 16.224 -0.895 -1.153 1.00 40.41 N ATOM 0 H LYS A 51 17.928 -5.469 2.703 1.00 51.11 H new ATOM 0 HA LYS A 51 18.006 -3.264 4.619 1.00 11.41 H new ATOM 0 HB2 LYS A 51 18.264 -1.854 2.850 1.00 43.41 H new ATOM 0 HB3 LYS A 51 18.993 -3.316 2.215 1.00 43.41 H new ATOM 0 HG2 LYS A 51 17.808 -2.623 0.357 1.00 34.10 H new ATOM 0 HG3 LYS A 51 16.619 -3.687 1.082 1.00 34.10 H new ATOM 0 HD2 LYS A 51 15.426 -1.747 2.071 1.00 12.24 H new ATOM 0 HD3 LYS A 51 16.657 -0.650 1.479 1.00 12.24 H new ATOM 0 HE2 LYS A 51 14.937 -2.380 -0.357 1.00 4.42 H new ATOM 0 HE3 LYS A 51 14.514 -0.740 0.092 1.00 4.42 H new ATOM 0 HZ1 LYS A 51 15.658 -0.767 -2.016 1.00 40.41 H new ATOM 0 HZ2 LYS A 51 16.629 0.019 -0.866 1.00 40.41 H new ATOM 0 HZ3 LYS A 51 16.992 -1.571 -1.339 1.00 40.41 H new ATOM 862 N LYS A 52 15.560 -2.467 4.647 1.00 60.13 N ATOM 863 CA LYS A 52 14.146 -2.126 4.848 1.00 40.02 C ATOM 864 C LYS A 52 13.870 -0.742 4.256 1.00 60.32 C ATOM 865 O LYS A 52 14.648 0.195 4.470 1.00 3.11 O ATOM 866 CB LYS A 52 13.797 -2.147 6.358 1.00 72.04 C ATOM 867 CG LYS A 52 12.334 -1.767 6.680 1.00 14.25 C ATOM 868 CD LYS A 52 12.034 -1.788 8.195 1.00 72.52 C ATOM 869 CE LYS A 52 12.279 -3.164 8.846 1.00 54.14 C ATOM 870 NZ LYS A 52 11.688 -3.235 10.209 1.00 2.24 N ATOM 0 H LYS A 52 16.202 -1.827 5.114 1.00 60.13 H new ATOM 0 HA LYS A 52 13.522 -2.863 4.344 1.00 40.02 H new ATOM 0 HB2 LYS A 52 13.995 -3.144 6.751 1.00 72.04 H new ATOM 0 HB3 LYS A 52 14.462 -1.460 6.882 1.00 72.04 H new ATOM 0 HG2 LYS A 52 12.126 -0.772 6.286 1.00 14.25 H new ATOM 0 HG3 LYS A 52 11.663 -2.458 6.171 1.00 14.25 H new ATOM 0 HD2 LYS A 52 12.655 -1.043 8.692 1.00 72.52 H new ATOM 0 HD3 LYS A 52 10.996 -1.497 8.357 1.00 72.52 H new ATOM 0 HE2 LYS A 52 11.848 -3.946 8.220 1.00 54.14 H new ATOM 0 HE3 LYS A 52 13.351 -3.355 8.902 1.00 54.14 H new ATOM 0 HZ1 LYS A 52 11.720 -4.217 10.551 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 12.230 -2.626 10.855 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 10.700 -2.912 10.176 1.00 2.24 H new ATOM 884 N GLU A 53 12.763 -0.623 3.515 1.00 51.54 N ATOM 885 CA GLU A 53 12.295 0.652 2.975 1.00 40.44 C ATOM 886 C GLU A 53 10.762 0.651 2.978 1.00 23.01 C ATOM 887 O GLU A 53 10.128 -0.302 2.508 1.00 15.35 O ATOM 888 CB GLU A 53 12.864 0.907 1.555 1.00 32.14 C ATOM 889 CG GLU A 53 12.752 2.376 1.085 1.00 4.34 C ATOM 890 CD GLU A 53 13.629 2.682 -0.133 1.00 62.04 C ATOM 891 OE1 GLU A 53 13.323 2.165 -1.214 1.00 0.11 O ATOM 892 OE2 GLU A 53 14.638 3.414 -0.010 1.00 21.12 O ATOM 0 H GLU A 53 12.166 -1.414 3.274 1.00 51.54 H new ATOM 0 HA GLU A 53 12.655 1.468 3.602 1.00 40.44 H new ATOM 0 HB2 GLU A 53 13.913 0.610 1.536 1.00 32.14 H new ATOM 0 HB3 GLU A 53 12.339 0.268 0.845 1.00 32.14 H new ATOM 0 HG2 GLU A 53 11.712 2.596 0.842 1.00 4.34 H new ATOM 0 HG3 GLU A 53 13.034 3.037 1.905 1.00 4.34 H new ATOM 899 N ASN A 54 10.187 1.703 3.566 1.00 14.23 N ATOM 900 CA ASN A 54 8.738 1.875 3.701 1.00 40.15 C ATOM 901 C ASN A 54 8.187 2.557 2.437 1.00 31.12 C ATOM 902 O ASN A 54 8.859 3.404 1.844 1.00 2.10 O ATOM 903 CB ASN A 54 8.426 2.716 4.971 1.00 61.31 C ATOM 904 CG ASN A 54 8.810 2.054 6.321 1.00 63.51 C ATOM 905 OD1 ASN A 54 9.839 1.209 6.361 1.00 31.41 O flip ATOM 906 ND2 ASN A 54 8.186 2.324 7.346 1.00 61.14 N flip ATOM 0 H ASN A 54 10.724 2.472 3.968 1.00 14.23 H new ATOM 0 HA ASN A 54 8.256 0.903 3.810 1.00 40.15 H new ATOM 0 HB2 ASN A 54 8.949 3.669 4.892 1.00 61.31 H new ATOM 0 HB3 ASN A 54 7.359 2.938 4.986 1.00 61.31 H new ATOM 0 HD21 ASN A 54 7.399 2.972 7.308 1.00 61.14 H new ATOM 0 HD22 ASN A 54 8.455 1.900 8.234 1.00 61.14 H new ATOM 913 N TYR A 55 6.985 2.156 2.001 1.00 53.21 N ATOM 914 CA TYR A 55 6.329 2.731 0.815 1.00 24.20 C ATOM 915 C TYR A 55 4.873 3.083 1.140 1.00 61.14 C ATOM 916 O TYR A 55 4.092 2.204 1.502 1.00 34.31 O ATOM 917 CB TYR A 55 6.363 1.733 -0.376 1.00 11.24 C ATOM 918 CG TYR A 55 7.751 1.461 -0.985 1.00 23.53 C ATOM 919 CD1 TYR A 55 8.156 2.097 -2.166 1.00 72.43 C ATOM 920 CD2 TYR A 55 8.646 0.555 -0.404 1.00 35.12 C ATOM 921 CE1 TYR A 55 9.380 1.832 -2.743 1.00 33.24 C ATOM 922 CE2 TYR A 55 9.882 0.296 -0.975 1.00 21.22 C ATOM 923 CZ TYR A 55 10.240 0.939 -2.141 1.00 63.53 C ATOM 924 OH TYR A 55 11.461 0.670 -2.730 1.00 23.03 O ATOM 0 H TYR A 55 6.440 1.425 2.458 1.00 53.21 H new ATOM 0 HA TYR A 55 6.871 3.633 0.533 1.00 24.20 H new ATOM 0 HB2 TYR A 55 5.942 0.785 -0.043 1.00 11.24 H new ATOM 0 HB3 TYR A 55 5.711 2.113 -1.162 1.00 11.24 H new ATOM 0 HD1 TYR A 55 7.495 2.811 -2.635 1.00 72.43 H new ATOM 0 HD2 TYR A 55 8.368 0.047 0.508 1.00 35.12 H new ATOM 0 HE1 TYR A 55 9.664 2.322 -3.663 1.00 33.24 H new ATOM 0 HE2 TYR A 55 10.560 -0.404 -0.510 1.00 21.22 H new ATOM 0 HH TYR A 55 12.167 1.158 -2.257 1.00 23.03 H new ATOM 934 N THR A 56 4.523 4.370 0.998 1.00 61.35 N ATOM 935 CA THR A 56 3.136 4.827 1.077 1.00 43.04 C ATOM 936 C THR A 56 2.481 4.665 -0.304 1.00 30.23 C ATOM 937 O THR A 56 2.680 5.481 -1.207 1.00 25.14 O ATOM 938 CB THR A 56 3.075 6.321 1.548 1.00 43.41 C ATOM 939 OG1 THR A 56 3.635 6.436 2.870 1.00 62.11 O ATOM 940 CG2 THR A 56 1.646 6.901 1.541 1.00 42.23 C ATOM 0 H THR A 56 5.195 5.118 0.826 1.00 61.35 H new ATOM 0 HA THR A 56 2.594 4.227 1.808 1.00 43.04 H new ATOM 0 HB THR A 56 3.657 6.901 0.832 1.00 43.41 H new ATOM 0 HG1 THR A 56 3.597 7.371 3.161 1.00 62.11 H new ATOM 0 HG21 THR A 56 1.672 7.938 1.877 1.00 42.23 H new ATOM 0 HG22 THR A 56 1.241 6.858 0.530 1.00 42.23 H new ATOM 0 HG23 THR A 56 1.014 6.318 2.211 1.00 42.23 H new ATOM 948 N VAL A 57 1.705 3.591 -0.462 1.00 42.20 N ATOM 949 CA VAL A 57 0.922 3.356 -1.674 1.00 54.03 C ATOM 950 C VAL A 57 -0.471 3.945 -1.430 1.00 1.24 C ATOM 951 O VAL A 57 -1.279 3.391 -0.671 1.00 71.24 O ATOM 952 CB VAL A 57 0.833 1.821 -2.041 1.00 32.31 C ATOM 953 CG1 VAL A 57 -0.012 1.585 -3.319 1.00 14.43 C ATOM 954 CG2 VAL A 57 2.246 1.207 -2.197 1.00 1.11 C ATOM 0 H VAL A 57 1.603 2.863 0.245 1.00 42.20 H new ATOM 0 HA VAL A 57 1.406 3.835 -2.525 1.00 54.03 H new ATOM 0 HB VAL A 57 0.329 1.318 -1.216 1.00 32.31 H new ATOM 0 HG11 VAL A 57 -0.050 0.518 -3.538 1.00 14.43 H new ATOM 0 HG12 VAL A 57 -1.024 1.959 -3.160 1.00 14.43 H new ATOM 0 HG13 VAL A 57 0.442 2.112 -4.158 1.00 14.43 H new ATOM 0 HG21 VAL A 57 2.158 0.150 -2.449 1.00 1.11 H new ATOM 0 HG22 VAL A 57 2.783 1.726 -2.991 1.00 1.11 H new ATOM 0 HG23 VAL A 57 2.794 1.312 -1.260 1.00 1.11 H new ATOM 964 N GLU A 58 -0.704 5.112 -2.040 1.00 52.51 N ATOM 965 CA GLU A 58 -1.966 5.840 -1.930 1.00 42.34 C ATOM 966 C GLU A 58 -2.980 5.199 -2.870 1.00 75.34 C ATOM 967 O GLU A 58 -2.773 5.177 -4.076 1.00 22.43 O ATOM 968 CB GLU A 58 -1.756 7.325 -2.301 1.00 72.40 C ATOM 969 CG GLU A 58 -0.686 8.048 -1.463 1.00 22.31 C ATOM 970 CD GLU A 58 -0.539 9.526 -1.851 1.00 33.04 C ATOM 971 OE1 GLU A 58 0.206 9.825 -2.805 1.00 64.33 O ATOM 972 OE2 GLU A 58 -1.168 10.389 -1.202 1.00 0.15 O ATOM 0 H GLU A 58 -0.014 5.579 -2.628 1.00 52.51 H new ATOM 0 HA GLU A 58 -2.334 5.793 -0.905 1.00 42.34 H new ATOM 0 HB2 GLU A 58 -1.479 7.388 -3.353 1.00 72.40 H new ATOM 0 HB3 GLU A 58 -2.704 7.852 -2.189 1.00 72.40 H new ATOM 0 HG2 GLU A 58 -0.946 7.977 -0.407 1.00 22.31 H new ATOM 0 HG3 GLU A 58 0.272 7.545 -1.590 1.00 22.31 H new ATOM 979 N VAL A 59 -4.026 4.617 -2.291 1.00 51.42 N ATOM 980 CA VAL A 59 -5.127 3.992 -3.026 1.00 31.35 C ATOM 981 C VAL A 59 -6.422 4.778 -2.735 1.00 53.11 C ATOM 982 O VAL A 59 -6.832 4.909 -1.584 1.00 4.13 O ATOM 983 CB VAL A 59 -5.286 2.479 -2.623 1.00 2.43 C ATOM 984 CG1 VAL A 59 -6.379 1.791 -3.461 1.00 62.44 C ATOM 985 CG2 VAL A 59 -3.934 1.718 -2.724 1.00 23.22 C ATOM 0 H VAL A 59 -4.137 4.564 -1.278 1.00 51.42 H new ATOM 0 HA VAL A 59 -4.914 4.020 -4.095 1.00 31.35 H new ATOM 0 HB VAL A 59 -5.600 2.449 -1.580 1.00 2.43 H new ATOM 0 HG11 VAL A 59 -6.465 0.747 -3.160 1.00 62.44 H new ATOM 0 HG12 VAL A 59 -7.332 2.295 -3.300 1.00 62.44 H new ATOM 0 HG13 VAL A 59 -6.115 1.843 -4.517 1.00 62.44 H new ATOM 0 HG21 VAL A 59 -4.081 0.676 -2.439 1.00 23.22 H new ATOM 0 HG22 VAL A 59 -3.566 1.765 -3.749 1.00 23.22 H new ATOM 0 HG23 VAL A 59 -3.207 2.178 -2.055 1.00 23.22 H new ATOM 995 N GLU A 60 -7.055 5.283 -3.791 1.00 51.44 N ATOM 996 CA GLU A 60 -8.219 6.173 -3.713 1.00 12.42 C ATOM 997 C GLU A 60 -9.505 5.373 -3.972 1.00 43.41 C ATOM 998 O GLU A 60 -9.513 4.428 -4.777 1.00 10.41 O ATOM 999 CB GLU A 60 -8.055 7.277 -4.784 1.00 34.23 C ATOM 1000 CG GLU A 60 -9.179 8.340 -4.850 1.00 75.12 C ATOM 1001 CD GLU A 60 -9.048 9.277 -6.068 1.00 73.02 C ATOM 1002 OE1 GLU A 60 -8.458 10.374 -5.947 1.00 41.51 O ATOM 1003 OE2 GLU A 60 -9.538 8.915 -7.156 1.00 33.40 O ATOM 0 H GLU A 60 -6.769 5.082 -4.749 1.00 51.44 H new ATOM 0 HA GLU A 60 -8.287 6.621 -2.722 1.00 12.42 H new ATOM 0 HB2 GLU A 60 -7.110 7.789 -4.606 1.00 34.23 H new ATOM 0 HB3 GLU A 60 -7.979 6.798 -5.760 1.00 34.23 H new ATOM 0 HG2 GLU A 60 -10.146 7.838 -4.887 1.00 75.12 H new ATOM 0 HG3 GLU A 60 -9.164 8.935 -3.937 1.00 75.12 H new ATOM 1010 N ARG A 61 -10.584 5.756 -3.272 1.00 73.10 N ATOM 1011 CA ARG A 61 -11.912 5.189 -3.471 1.00 14.03 C ATOM 1012 C ARG A 61 -12.576 5.854 -4.692 1.00 1.31 C ATOM 1013 O ARG A 61 -12.983 7.018 -4.635 1.00 74.53 O ATOM 1014 CB ARG A 61 -12.774 5.385 -2.198 1.00 12.23 C ATOM 1015 CG ARG A 61 -14.120 4.628 -2.222 1.00 4.40 C ATOM 1016 CD ARG A 61 -13.934 3.112 -2.408 1.00 14.51 C ATOM 1017 NE ARG A 61 -15.179 2.371 -2.204 1.00 33.45 N ATOM 1018 CZ ARG A 61 -15.322 1.041 -2.314 1.00 71.34 C ATOM 1019 NH1 ARG A 61 -14.294 0.259 -2.649 1.00 3.15 N ATOM 1020 NH2 ARG A 61 -16.501 0.490 -2.042 1.00 34.23 N ATOM 0 H ARG A 61 -10.551 6.474 -2.548 1.00 73.10 H new ATOM 0 HA ARG A 61 -11.826 4.119 -3.658 1.00 14.03 H new ATOM 0 HB2 ARG A 61 -12.201 5.057 -1.331 1.00 12.23 H new ATOM 0 HB3 ARG A 61 -12.971 6.449 -2.066 1.00 12.23 H new ATOM 0 HG2 ARG A 61 -14.656 4.815 -1.291 1.00 4.40 H new ATOM 0 HG3 ARG A 61 -14.739 5.018 -3.030 1.00 4.40 H new ATOM 0 HD2 ARG A 61 -13.557 2.915 -3.411 1.00 14.51 H new ATOM 0 HD3 ARG A 61 -13.180 2.752 -1.708 1.00 14.51 H new ATOM 0 HE ARG A 61 -16.009 2.911 -1.957 1.00 33.45 H new ATOM 0 HH11 ARG A 61 -13.378 0.670 -2.827 1.00 3.15 H new ATOM 0 HH12 ARG A 61 -14.425 -0.750 -2.727 1.00 3.15 H new ATOM 0 HH21 ARG A 61 -17.284 1.077 -1.754 1.00 34.23 H new ATOM 0 HH22 ARG A 61 -16.623 -0.520 -2.122 1.00 34.23 H new ATOM 1034 N GLN A 62 -12.635 5.109 -5.792 1.00 53.15 N ATOM 1035 CA GLN A 62 -13.243 5.544 -7.057 1.00 44.13 C ATOM 1036 C GLN A 62 -14.565 4.772 -7.247 1.00 2.11 C ATOM 1037 O GLN A 62 -14.577 3.663 -7.788 1.00 13.24 O ATOM 1038 CB GLN A 62 -12.242 5.288 -8.221 1.00 44.21 C ATOM 1039 CG GLN A 62 -12.727 5.716 -9.616 1.00 12.12 C ATOM 1040 CD GLN A 62 -11.662 5.505 -10.698 1.00 73.41 C ATOM 1041 OE1 GLN A 62 -11.573 4.435 -11.299 1.00 64.13 O ATOM 1042 NE2 GLN A 62 -10.848 6.515 -10.955 1.00 1.31 N ATOM 0 H GLN A 62 -12.254 4.164 -5.835 1.00 53.15 H new ATOM 0 HA GLN A 62 -13.465 6.611 -7.046 1.00 44.13 H new ATOM 0 HB2 GLN A 62 -11.313 5.814 -8.001 1.00 44.21 H new ATOM 0 HB3 GLN A 62 -12.007 4.224 -8.248 1.00 44.21 H new ATOM 0 HG2 GLN A 62 -13.621 5.150 -9.876 1.00 12.12 H new ATOM 0 HG3 GLN A 62 -13.012 6.768 -9.591 1.00 12.12 H new ATOM 0 HE21 GLN A 62 -10.944 7.391 -10.441 1.00 1.31 H new ATOM 0 HE22 GLN A 62 -10.124 6.418 -11.667 1.00 1.31 H new ATOM 1051 N GLY A 63 -15.661 5.344 -6.725 1.00 62.52 N ATOM 1052 CA GLY A 63 -16.971 4.680 -6.714 1.00 31.20 C ATOM 1053 C GLY A 63 -17.005 3.513 -5.726 1.00 71.44 C ATOM 1054 O GLY A 63 -17.012 3.723 -4.504 1.00 5.11 O ATOM 0 H GLY A 63 -15.664 6.272 -6.302 1.00 62.52 H new ATOM 0 HA2 GLY A 63 -17.743 5.403 -6.450 1.00 31.20 H new ATOM 0 HA3 GLY A 63 -17.203 4.316 -7.715 1.00 31.20 H new ATOM 1058 N ASN A 64 -17.009 2.279 -6.262 1.00 63.25 N ATOM 1059 CA ASN A 64 -16.929 1.033 -5.466 1.00 11.43 C ATOM 1060 C ASN A 64 -15.593 0.305 -5.755 1.00 73.33 C ATOM 1061 O ASN A 64 -15.279 -0.711 -5.130 1.00 45.24 O ATOM 1062 CB ASN A 64 -18.161 0.108 -5.759 1.00 40.14 C ATOM 1063 CG ASN A 64 -18.463 -0.935 -4.655 1.00 32.21 C ATOM 1064 OD1 ASN A 64 -17.590 -1.364 -3.897 1.00 73.43 O ATOM 1065 ND2 ASN A 64 -19.714 -1.355 -4.557 1.00 23.22 N ATOM 0 H ASN A 64 -17.068 2.113 -7.267 1.00 63.25 H new ATOM 0 HA ASN A 64 -16.956 1.287 -4.406 1.00 11.43 H new ATOM 0 HB2 ASN A 64 -19.042 0.733 -5.900 1.00 40.14 H new ATOM 0 HB3 ASN A 64 -17.989 -0.417 -6.699 1.00 40.14 H new ATOM 0 HD21 ASN A 64 -19.967 -2.043 -3.847 1.00 23.22 H new ATOM 0 HD22 ASN A 64 -20.425 -0.991 -5.191 1.00 23.22 H new ATOM 1072 N THR A 65 -14.785 0.841 -6.690 1.00 21.40 N ATOM 1073 CA THR A 65 -13.455 0.288 -7.009 1.00 24.30 C ATOM 1074 C THR A 65 -12.342 1.078 -6.299 1.00 44.43 C ATOM 1075 O THR A 65 -12.590 2.114 -5.668 1.00 71.22 O ATOM 1076 CB THR A 65 -13.192 0.256 -8.559 1.00 74.30 C ATOM 1077 OG1 THR A 65 -13.443 1.540 -9.143 1.00 50.31 O ATOM 1078 CG2 THR A 65 -14.058 -0.804 -9.263 1.00 21.43 C ATOM 0 H THR A 65 -15.033 1.663 -7.241 1.00 21.40 H new ATOM 0 HA THR A 65 -13.442 -0.739 -6.645 1.00 24.30 H new ATOM 0 HB THR A 65 -12.144 -0.008 -8.699 1.00 74.30 H new ATOM 0 HG1 THR A 65 -13.699 2.174 -8.441 1.00 50.31 H new ATOM 0 HG21 THR A 65 -13.847 -0.795 -10.332 1.00 21.43 H new ATOM 0 HG22 THR A 65 -13.829 -1.789 -8.857 1.00 21.43 H new ATOM 0 HG23 THR A 65 -15.112 -0.580 -9.099 1.00 21.43 H new ATOM 1086 N TRP A 66 -11.115 0.547 -6.409 1.00 12.53 N ATOM 1087 CA TRP A 66 -9.895 1.122 -5.825 1.00 1.44 C ATOM 1088 C TRP A 66 -8.899 1.445 -6.950 1.00 40.44 C ATOM 1089 O TRP A 66 -8.774 0.668 -7.904 1.00 55.00 O ATOM 1090 CB TRP A 66 -9.279 0.113 -4.822 1.00 42.25 C ATOM 1091 CG TRP A 66 -10.161 -0.162 -3.621 1.00 70.13 C ATOM 1092 CD1 TRP A 66 -10.891 -1.290 -3.368 1.00 23.13 C ATOM 1093 CD2 TRP A 66 -10.417 0.731 -2.526 1.00 71.04 C ATOM 1094 NE1 TRP A 66 -11.552 -1.166 -2.173 1.00 11.33 N ATOM 1095 CE2 TRP A 66 -11.276 0.062 -1.637 1.00 62.34 C ATOM 1096 CE3 TRP A 66 -9.976 2.022 -2.197 1.00 63.32 C ATOM 1097 CZ2 TRP A 66 -11.722 0.641 -0.458 1.00 43.33 C ATOM 1098 CZ3 TRP A 66 -10.422 2.598 -1.023 1.00 31.00 C ATOM 1099 CH2 TRP A 66 -11.282 1.903 -0.162 1.00 21.04 C ATOM 0 H TRP A 66 -10.940 -0.318 -6.921 1.00 12.53 H new ATOM 0 HA TRP A 66 -10.133 2.042 -5.291 1.00 1.44 H new ATOM 0 HB2 TRP A 66 -9.080 -0.826 -5.339 1.00 42.25 H new ATOM 0 HB3 TRP A 66 -8.319 0.496 -4.477 1.00 42.25 H new ATOM 0 HD1 TRP A 66 -10.940 -2.153 -4.015 1.00 23.13 H new ATOM 0 HE1 TRP A 66 -12.152 -1.875 -1.752 1.00 11.33 H new ATOM 0 HE3 TRP A 66 -9.301 2.555 -2.849 1.00 63.32 H new ATOM 0 HZ2 TRP A 66 -12.393 0.114 0.204 1.00 43.33 H new ATOM 0 HZ3 TRP A 66 -10.104 3.597 -0.765 1.00 31.00 H new ATOM 0 HH2 TRP A 66 -11.605 2.373 0.755 1.00 21.04 H new ATOM 1110 N THR A 67 -8.190 2.585 -6.840 1.00 33.31 N ATOM 1111 CA THR A 67 -7.228 3.029 -7.870 1.00 52.32 C ATOM 1112 C THR A 67 -5.969 3.635 -7.208 1.00 62.42 C ATOM 1113 O THR A 67 -6.057 4.546 -6.388 1.00 73.31 O ATOM 1114 CB THR A 67 -7.905 4.032 -8.879 1.00 42.25 C ATOM 1115 OG1 THR A 67 -6.984 4.397 -9.917 1.00 30.40 O ATOM 1116 CG2 THR A 67 -8.457 5.306 -8.196 1.00 73.32 C ATOM 0 H THR A 67 -8.265 3.219 -6.044 1.00 33.31 H new ATOM 0 HA THR A 67 -6.910 2.161 -8.448 1.00 52.32 H new ATOM 0 HB THR A 67 -8.758 3.505 -9.307 1.00 42.25 H new ATOM 0 HG1 THR A 67 -7.419 5.019 -10.537 1.00 30.40 H new ATOM 0 HG21 THR A 67 -8.910 5.954 -8.946 1.00 73.32 H new ATOM 0 HG22 THR A 67 -9.208 5.026 -7.457 1.00 73.32 H new ATOM 0 HG23 THR A 67 -7.642 5.836 -7.703 1.00 73.32 H new ATOM 1124 N VAL A 68 -4.794 3.087 -7.557 1.00 65.10 N ATOM 1125 CA VAL A 68 -3.505 3.511 -6.989 1.00 52.33 C ATOM 1126 C VAL A 68 -3.073 4.864 -7.599 1.00 52.14 C ATOM 1127 O VAL A 68 -2.835 4.962 -8.810 1.00 20.35 O ATOM 1128 CB VAL A 68 -2.397 2.410 -7.207 1.00 30.23 C ATOM 1129 CG1 VAL A 68 -1.020 2.861 -6.662 1.00 42.50 C ATOM 1130 CG2 VAL A 68 -2.840 1.065 -6.576 1.00 22.55 C ATOM 0 H VAL A 68 -4.711 2.336 -8.242 1.00 65.10 H new ATOM 0 HA VAL A 68 -3.629 3.641 -5.914 1.00 52.33 H new ATOM 0 HB VAL A 68 -2.279 2.264 -8.281 1.00 30.23 H new ATOM 0 HG11 VAL A 68 -0.286 2.074 -6.832 1.00 42.50 H new ATOM 0 HG12 VAL A 68 -0.705 3.769 -7.176 1.00 42.50 H new ATOM 0 HG13 VAL A 68 -1.099 3.059 -5.593 1.00 42.50 H new ATOM 0 HG21 VAL A 68 -2.065 0.316 -6.735 1.00 22.55 H new ATOM 0 HG22 VAL A 68 -3.000 1.200 -5.506 1.00 22.55 H new ATOM 0 HG23 VAL A 68 -3.767 0.732 -7.042 1.00 22.55 H new ATOM 1140 N LYS A 69 -3.028 5.897 -6.738 1.00 14.55 N ATOM 1141 CA LYS A 69 -2.568 7.255 -7.082 1.00 44.43 C ATOM 1142 C LYS A 69 -1.076 7.239 -7.449 1.00 12.41 C ATOM 1143 O LYS A 69 -0.677 7.785 -8.481 1.00 31.55 O ATOM 1144 CB LYS A 69 -2.796 8.218 -5.876 1.00 52.21 C ATOM 1145 CG LYS A 69 -4.247 8.278 -5.355 1.00 4.25 C ATOM 1146 CD LYS A 69 -5.255 8.752 -6.419 1.00 30.12 C ATOM 1147 CE LYS A 69 -5.024 10.196 -6.882 1.00 2.52 C ATOM 1148 NZ LYS A 69 -6.061 10.630 -7.849 1.00 23.01 N ATOM 0 H LYS A 69 -3.316 5.809 -5.764 1.00 14.55 H new ATOM 0 HA LYS A 69 -3.141 7.606 -7.940 1.00 44.43 H new ATOM 0 HB2 LYS A 69 -2.144 7.912 -5.058 1.00 52.21 H new ATOM 0 HB3 LYS A 69 -2.489 9.222 -6.169 1.00 52.21 H new ATOM 0 HG2 LYS A 69 -4.540 7.290 -5.001 1.00 4.25 H new ATOM 0 HG3 LYS A 69 -4.291 8.950 -4.498 1.00 4.25 H new ATOM 0 HD2 LYS A 69 -5.198 8.089 -7.282 1.00 30.12 H new ATOM 0 HD3 LYS A 69 -6.264 8.665 -6.016 1.00 30.12 H new ATOM 0 HE2 LYS A 69 -5.029 10.861 -6.018 1.00 2.52 H new ATOM 0 HE3 LYS A 69 -4.039 10.278 -7.342 1.00 2.52 H new ATOM 0 HZ1 LYS A 69 -5.837 11.586 -8.193 1.00 23.01 H new ATOM 0 HZ2 LYS A 69 -6.085 9.970 -8.652 1.00 23.01 H new ATOM 0 HZ3 LYS A 69 -6.990 10.639 -7.381 1.00 23.01 H new ATOM 1162 N ARG A 70 -0.281 6.618 -6.559 1.00 13.45 N ATOM 1163 CA ARG A 70 1.159 6.395 -6.763 1.00 31.32 C ATOM 1164 C ARG A 70 1.705 5.458 -5.677 1.00 13.21 C ATOM 1165 O ARG A 70 1.057 5.216 -4.647 1.00 25.43 O ATOM 1166 CB ARG A 70 1.973 7.731 -6.748 1.00 72.11 C ATOM 1167 CG ARG A 70 2.183 8.366 -5.347 1.00 72.45 C ATOM 1168 CD ARG A 70 2.992 9.677 -5.392 1.00 22.24 C ATOM 1169 NE ARG A 70 2.261 10.756 -6.067 1.00 44.30 N ATOM 1170 CZ ARG A 70 2.785 11.928 -6.465 1.00 23.34 C ATOM 1171 NH1 ARG A 70 4.079 12.214 -6.276 1.00 42.01 N ATOM 1172 NH2 ARG A 70 1.999 12.827 -7.042 1.00 31.41 N ATOM 0 H ARG A 70 -0.625 6.254 -5.670 1.00 13.45 H new ATOM 0 HA ARG A 70 1.277 5.941 -7.747 1.00 31.32 H new ATOM 0 HB2 ARG A 70 2.950 7.547 -7.195 1.00 72.11 H new ATOM 0 HB3 ARG A 70 1.463 8.455 -7.384 1.00 72.11 H new ATOM 0 HG2 ARG A 70 1.211 8.561 -4.894 1.00 72.45 H new ATOM 0 HG3 ARG A 70 2.697 7.651 -4.704 1.00 72.45 H new ATOM 0 HD2 ARG A 70 3.236 9.986 -4.376 1.00 22.24 H new ATOM 0 HD3 ARG A 70 3.936 9.502 -5.908 1.00 22.24 H new ATOM 0 HE ARG A 70 1.269 10.603 -6.250 1.00 44.30 H new ATOM 0 HH11 ARG A 70 4.690 11.536 -5.821 1.00 42.01 H new ATOM 0 HH12 ARG A 70 4.454 13.110 -6.587 1.00 42.01 H new ATOM 0 HH21 ARG A 70 1.009 12.625 -7.179 1.00 31.41 H new ATOM 0 HH22 ARG A 70 2.385 13.720 -7.348 1.00 31.41 H new ATOM 1186 N ILE A 71 2.908 4.941 -5.934 1.00 35.01 N ATOM 1187 CA ILE A 71 3.735 4.273 -4.930 1.00 70.42 C ATOM 1188 C ILE A 71 4.814 5.273 -4.480 1.00 42.10 C ATOM 1189 O ILE A 71 5.737 5.591 -5.245 1.00 22.01 O ATOM 1190 CB ILE A 71 4.409 2.976 -5.511 1.00 12.12 C ATOM 1191 CG1 ILE A 71 3.329 1.961 -6.005 1.00 1.21 C ATOM 1192 CG2 ILE A 71 5.353 2.332 -4.471 1.00 42.30 C ATOM 1193 CD1 ILE A 71 3.893 0.716 -6.667 1.00 21.53 C ATOM 0 H ILE A 71 3.340 4.975 -6.857 1.00 35.01 H new ATOM 0 HA ILE A 71 3.114 3.962 -4.090 1.00 70.42 H new ATOM 0 HB ILE A 71 5.012 3.263 -6.372 1.00 12.12 H new ATOM 0 HG12 ILE A 71 2.716 1.660 -5.156 1.00 1.21 H new ATOM 0 HG13 ILE A 71 2.670 2.466 -6.711 1.00 1.21 H new ATOM 0 HG21 ILE A 71 5.807 1.437 -4.897 1.00 42.30 H new ATOM 0 HG22 ILE A 71 6.135 3.042 -4.201 1.00 42.30 H new ATOM 0 HG23 ILE A 71 4.784 2.062 -3.581 1.00 42.30 H new ATOM 0 HD11 ILE A 71 3.075 0.067 -6.979 1.00 21.53 H new ATOM 0 HD12 ILE A 71 4.482 1.002 -7.539 1.00 21.53 H new ATOM 0 HD13 ILE A 71 4.528 0.184 -5.959 1.00 21.53 H new ATOM 1205 N THR A 72 4.671 5.795 -3.266 1.00 12.51 N ATOM 1206 CA THR A 72 5.598 6.779 -2.702 1.00 62.22 C ATOM 1207 C THR A 72 6.679 6.051 -1.891 1.00 21.05 C ATOM 1208 O THR A 72 6.366 5.406 -0.894 1.00 61.33 O ATOM 1209 CB THR A 72 4.842 7.781 -1.766 1.00 33.22 C ATOM 1210 OG1 THR A 72 3.660 8.255 -2.428 1.00 22.22 O ATOM 1211 CG2 THR A 72 5.724 8.979 -1.355 1.00 75.11 C ATOM 0 H THR A 72 3.905 5.548 -2.639 1.00 12.51 H new ATOM 0 HA THR A 72 6.052 7.338 -3.520 1.00 62.22 H new ATOM 0 HB THR A 72 4.577 7.245 -0.855 1.00 33.22 H new ATOM 0 HG1 THR A 72 3.186 8.881 -1.842 1.00 22.22 H new ATOM 0 HG21 THR A 72 5.154 9.645 -0.707 1.00 75.11 H new ATOM 0 HG22 THR A 72 6.603 8.617 -0.822 1.00 75.11 H new ATOM 0 HG23 THR A 72 6.038 9.522 -2.246 1.00 75.11 H new ATOM 1219 N ARG A 73 7.930 6.128 -2.350 1.00 3.51 N ATOM 1220 CA ARG A 73 9.092 5.672 -1.570 1.00 45.11 C ATOM 1221 C ARG A 73 9.280 6.603 -0.358 1.00 24.33 C ATOM 1222 O ARG A 73 9.061 7.822 -0.480 1.00 12.41 O ATOM 1223 CB ARG A 73 10.365 5.688 -2.462 1.00 53.24 C ATOM 1224 CG ARG A 73 11.664 5.285 -1.731 1.00 72.45 C ATOM 1225 CD ARG A 73 12.913 5.402 -2.619 1.00 53.10 C ATOM 1226 NE ARG A 73 12.817 4.560 -3.828 1.00 2.13 N ATOM 1227 CZ ARG A 73 13.711 3.629 -4.204 1.00 41.41 C ATOM 1228 NH1 ARG A 73 14.797 3.385 -3.472 1.00 42.21 N ATOM 1229 NH2 ARG A 73 13.495 2.927 -5.307 1.00 30.03 N ATOM 0 H ARG A 73 8.170 6.505 -3.267 1.00 3.51 H new ATOM 0 HA ARG A 73 8.925 4.653 -1.221 1.00 45.11 H new ATOM 0 HB2 ARG A 73 10.212 5.012 -3.304 1.00 53.24 H new ATOM 0 HB3 ARG A 73 10.491 6.689 -2.875 1.00 53.24 H new ATOM 0 HG2 ARG A 73 11.790 5.916 -0.851 1.00 72.45 H new ATOM 0 HG3 ARG A 73 11.572 4.258 -1.377 1.00 72.45 H new ATOM 0 HD2 ARG A 73 13.052 6.442 -2.913 1.00 53.10 H new ATOM 0 HD3 ARG A 73 13.793 5.112 -2.045 1.00 53.10 H new ATOM 0 HE ARG A 73 12.004 4.696 -4.429 1.00 2.13 H new ATOM 0 HH11 ARG A 73 14.960 3.908 -2.612 1.00 42.21 H new ATOM 0 HH12 ARG A 73 15.465 2.675 -3.772 1.00 42.21 H new ATOM 0 HH21 ARG A 73 12.656 3.095 -5.863 1.00 30.03 H new ATOM 0 HH22 ARG A 73 14.167 2.218 -5.600 1.00 30.03 H new ATOM 1243 N THR A 74 9.655 6.037 0.814 1.00 13.53 N ATOM 1244 CA THR A 74 9.986 6.850 1.992 1.00 71.21 C ATOM 1245 C THR A 74 11.235 7.693 1.687 1.00 61.34 C ATOM 1246 O THR A 74 12.194 7.223 1.047 1.00 33.11 O ATOM 1247 CB THR A 74 10.199 6.003 3.299 1.00 70.01 C ATOM 1248 OG1 THR A 74 10.370 6.876 4.434 1.00 61.14 O ATOM 1249 CG2 THR A 74 11.404 5.048 3.210 1.00 24.04 C ATOM 0 H THR A 74 9.733 5.031 0.961 1.00 13.53 H new ATOM 0 HA THR A 74 9.130 7.494 2.192 1.00 71.21 H new ATOM 0 HB THR A 74 9.305 5.391 3.418 1.00 70.01 H new ATOM 0 HG1 THR A 74 10.500 6.339 5.243 1.00 61.14 H new ATOM 0 HG21 THR A 74 11.497 4.492 4.143 1.00 24.04 H new ATOM 0 HG22 THR A 74 11.256 4.351 2.385 1.00 24.04 H new ATOM 0 HG23 THR A 74 12.313 5.624 3.039 1.00 24.04 H new ATOM 1257 N VAL A 75 11.191 8.947 2.111 1.00 51.34 N ATOM 1258 CA VAL A 75 12.240 9.924 1.854 1.00 5.44 C ATOM 1259 C VAL A 75 12.769 10.438 3.205 1.00 44.21 C ATOM 1260 O VAL A 75 11.992 10.703 4.131 1.00 25.04 O ATOM 1261 CB VAL A 75 11.691 11.083 0.933 1.00 21.45 C ATOM 1262 CG1 VAL A 75 10.575 11.917 1.605 1.00 14.33 C ATOM 1263 CG2 VAL A 75 12.829 11.975 0.414 1.00 45.33 C ATOM 0 H VAL A 75 10.412 9.321 2.653 1.00 51.34 H new ATOM 0 HA VAL A 75 13.070 9.469 1.314 1.00 5.44 H new ATOM 0 HB VAL A 75 11.228 10.596 0.075 1.00 21.45 H new ATOM 0 HG11 VAL A 75 10.241 12.697 0.920 1.00 14.33 H new ATOM 0 HG12 VAL A 75 9.735 11.268 1.853 1.00 14.33 H new ATOM 0 HG13 VAL A 75 10.961 12.375 2.516 1.00 14.33 H new ATOM 0 HG21 VAL A 75 12.416 12.762 -0.217 1.00 45.33 H new ATOM 0 HG22 VAL A 75 13.353 12.424 1.258 1.00 45.33 H new ATOM 0 HG23 VAL A 75 13.527 11.373 -0.168 1.00 45.33 H new ATOM 1273 N GLY A 76 14.097 10.505 3.323 1.00 43.51 N ATOM 1274 CA GLY A 76 14.773 10.936 4.550 1.00 52.31 C ATOM 1275 C GLY A 76 16.211 11.291 4.240 1.00 54.34 C ATOM 1276 O GLY A 76 17.033 10.382 4.050 1.00 63.13 O ATOM 0 H GLY A 76 14.737 10.261 2.567 1.00 43.51 H new ATOM 0 HA2 GLY A 76 14.259 11.797 4.977 1.00 52.31 H new ATOM 0 HA3 GLY A 76 14.737 10.142 5.295 1.00 52.31 H new ATOM 1280 N SER A 77 16.488 12.608 4.121 1.00 72.21 N ATOM 1281 CA SER A 77 17.782 13.149 3.643 1.00 51.24 C ATOM 1282 C SER A 77 18.082 12.689 2.194 1.00 33.42 C ATOM 1283 O SER A 77 19.231 12.700 1.745 1.00 74.24 O ATOM 1284 CB SER A 77 18.926 12.789 4.634 1.00 10.30 C ATOM 1285 OG SER A 77 18.612 13.227 5.947 1.00 43.35 O ATOM 0 H SER A 77 15.812 13.335 4.357 1.00 72.21 H new ATOM 0 HA SER A 77 17.714 14.236 3.613 1.00 51.24 H new ATOM 0 HB2 SER A 77 19.087 11.711 4.634 1.00 10.30 H new ATOM 0 HB3 SER A 77 19.857 13.250 4.305 1.00 10.30 H new ATOM 0 HG SER A 77 19.343 12.989 6.555 1.00 43.35 H new ATOM 1291 N LEU A 78 17.015 12.320 1.465 1.00 23.12 N ATOM 1292 CA LEU A 78 17.092 11.782 0.099 1.00 4.13 C ATOM 1293 C LEU A 78 16.544 12.852 -0.857 1.00 12.21 C ATOM 1294 O LEU A 78 15.470 13.416 -0.610 1.00 34.43 O ATOM 1295 CB LEU A 78 16.279 10.438 0.030 1.00 62.50 C ATOM 1296 CG LEU A 78 16.492 9.487 -1.214 1.00 74.22 C ATOM 1297 CD1 LEU A 78 15.947 8.065 -0.926 1.00 22.53 C ATOM 1298 CD2 LEU A 78 15.858 10.038 -2.511 1.00 32.11 C ATOM 0 H LEU A 78 16.060 12.389 1.816 1.00 23.12 H new ATOM 0 HA LEU A 78 18.117 11.552 -0.192 1.00 4.13 H new ATOM 0 HB2 LEU A 78 16.510 9.865 0.928 1.00 62.50 H new ATOM 0 HB3 LEU A 78 15.219 10.690 0.077 1.00 62.50 H new ATOM 0 HG LEU A 78 17.569 9.438 -1.375 1.00 74.22 H new ATOM 0 HD11 LEU A 78 16.106 7.431 -1.798 1.00 22.53 H new ATOM 0 HD12 LEU A 78 16.471 7.641 -0.069 1.00 22.53 H new ATOM 0 HD13 LEU A 78 14.880 8.121 -0.708 1.00 22.53 H new ATOM 0 HD21 LEU A 78 16.038 9.340 -3.329 1.00 32.11 H new ATOM 0 HD22 LEU A 78 14.784 10.160 -2.368 1.00 32.11 H new ATOM 0 HD23 LEU A 78 16.304 11.003 -2.752 1.00 32.11 H new ATOM 1310 N GLU A 79 17.299 13.130 -1.927 1.00 0.23 N ATOM 1311 CA GLU A 79 16.911 14.111 -2.948 1.00 4.43 C ATOM 1312 C GLU A 79 15.775 13.543 -3.817 1.00 45.31 C ATOM 1313 O GLU A 79 16.020 12.775 -4.759 1.00 51.34 O ATOM 1314 CB GLU A 79 18.124 14.500 -3.834 1.00 20.31 C ATOM 1315 CG GLU A 79 17.838 15.628 -4.853 1.00 52.01 C ATOM 1316 CD GLU A 79 18.990 15.845 -5.841 1.00 11.33 C ATOM 1317 OE1 GLU A 79 20.021 16.435 -5.455 1.00 4.25 O ATOM 1318 OE2 GLU A 79 18.883 15.419 -7.009 1.00 41.40 O ATOM 0 H GLU A 79 18.196 12.681 -2.109 1.00 0.23 H new ATOM 0 HA GLU A 79 16.559 15.011 -2.444 1.00 4.43 H new ATOM 0 HB2 GLU A 79 18.945 14.811 -3.188 1.00 20.31 H new ATOM 0 HB3 GLU A 79 18.461 13.616 -4.375 1.00 20.31 H new ATOM 0 HG2 GLU A 79 16.931 15.388 -5.407 1.00 52.01 H new ATOM 0 HG3 GLU A 79 17.647 16.557 -4.315 1.00 52.01 H new ATOM 1325 N HIS A 80 14.532 13.865 -3.430 1.00 11.32 N ATOM 1326 CA HIS A 80 13.342 13.595 -4.249 1.00 34.52 C ATOM 1327 C HIS A 80 13.320 14.624 -5.399 1.00 63.42 C ATOM 1328 O HIS A 80 12.705 15.694 -5.304 1.00 0.22 O ATOM 1329 CB HIS A 80 12.040 13.599 -3.383 1.00 60.24 C ATOM 1330 CG HIS A 80 11.894 14.769 -2.436 1.00 51.01 C ATOM 1331 ND1 HIS A 80 12.538 14.826 -1.218 1.00 55.21 N ATOM 1332 CD2 HIS A 80 11.160 15.906 -2.516 1.00 22.42 C ATOM 1333 CE1 HIS A 80 12.201 15.934 -0.593 1.00 1.13 C ATOM 1334 NE2 HIS A 80 11.370 16.607 -1.358 1.00 43.02 N ATOM 0 H HIS A 80 14.324 14.320 -2.541 1.00 11.32 H new ATOM 0 HA HIS A 80 13.386 12.594 -4.678 1.00 34.52 H new ATOM 0 HB2 HIS A 80 11.179 13.585 -4.052 1.00 60.24 H new ATOM 0 HB3 HIS A 80 12.007 12.677 -2.802 1.00 60.24 H new ATOM 0 HD2 HIS A 80 10.528 16.204 -3.339 1.00 22.42 H new ATOM 0 HE1 HIS A 80 12.548 16.239 0.383 1.00 1.13 H new ATOM 0 HE2 HIS A 80 10.949 17.507 -1.126 1.00 43.02 H new ATOM 1343 N HIS A 81 14.084 14.287 -6.458 1.00 43.23 N ATOM 1344 CA HIS A 81 14.391 15.187 -7.579 1.00 44.24 C ATOM 1345 C HIS A 81 13.099 15.554 -8.340 1.00 1.33 C ATOM 1346 O HIS A 81 12.417 14.678 -8.883 1.00 40.13 O ATOM 1347 CB HIS A 81 15.436 14.515 -8.522 1.00 32.11 C ATOM 1348 CG HIS A 81 16.019 15.432 -9.578 1.00 43.21 C ATOM 1349 ND1 HIS A 81 17.186 16.146 -9.388 1.00 30.32 N ATOM 1350 CD2 HIS A 81 15.594 15.756 -10.825 1.00 30.24 C ATOM 1351 CE1 HIS A 81 17.454 16.855 -10.463 1.00 53.33 C ATOM 1352 NE2 HIS A 81 16.503 16.640 -11.348 1.00 54.23 N ATOM 0 H HIS A 81 14.510 13.366 -6.556 1.00 43.23 H new ATOM 0 HA HIS A 81 14.822 16.111 -7.195 1.00 44.24 H new ATOM 0 HB2 HIS A 81 16.250 14.118 -7.915 1.00 32.11 H new ATOM 0 HB3 HIS A 81 14.965 13.666 -9.018 1.00 32.11 H new ATOM 0 HD1 HIS A 81 17.755 16.126 -8.541 1.00 30.32 H new ATOM 0 HD2 HIS A 81 14.705 15.387 -11.315 1.00 30.24 H new ATOM 0 HE1 HIS A 81 18.308 17.503 -10.597 1.00 53.33 H new ATOM 1361 N HIS A 82 12.805 16.864 -8.365 1.00 15.02 N ATOM 1362 CA HIS A 82 11.558 17.430 -8.902 1.00 31.25 C ATOM 1363 C HIS A 82 11.494 17.282 -10.425 1.00 44.24 C ATOM 1364 O HIS A 82 12.178 17.999 -11.152 1.00 71.23 O ATOM 1365 CB HIS A 82 11.432 18.919 -8.481 1.00 54.31 C ATOM 1366 CG HIS A 82 11.430 19.119 -6.992 1.00 64.33 C ATOM 1367 ND1 HIS A 82 12.514 19.603 -6.291 1.00 4.41 N ATOM 1368 CD2 HIS A 82 10.464 18.897 -6.074 1.00 53.10 C ATOM 1369 CE1 HIS A 82 12.215 19.671 -5.012 1.00 55.31 C ATOM 1370 NE2 HIS A 82 10.978 19.250 -4.857 1.00 74.11 N ATOM 0 H HIS A 82 13.442 17.574 -8.004 1.00 15.02 H new ATOM 0 HA HIS A 82 10.717 16.876 -8.486 1.00 31.25 H new ATOM 0 HB2 HIS A 82 12.258 19.483 -8.915 1.00 54.31 H new ATOM 0 HB3 HIS A 82 10.512 19.330 -8.897 1.00 54.31 H new ATOM 0 HD2 HIS A 82 9.473 18.513 -6.265 1.00 53.10 H new ATOM 0 HE1 HIS A 82 12.871 20.013 -4.225 1.00 55.31 H new ATOM 0 HE2 HIS A 82 10.480 19.195 -3.968 1.00 74.11 H new ATOM 1379 N HIS A 83 10.701 16.308 -10.884 1.00 61.44 N ATOM 1380 CA HIS A 83 10.414 16.085 -12.311 1.00 61.31 C ATOM 1381 C HIS A 83 8.899 16.248 -12.524 1.00 74.32 C ATOM 1382 O HIS A 83 8.104 15.577 -11.853 1.00 62.24 O ATOM 1383 CB HIS A 83 10.897 14.671 -12.730 1.00 3.42 C ATOM 1384 CG HIS A 83 10.770 14.363 -14.201 1.00 1.03 C ATOM 1385 ND1 HIS A 83 10.050 13.299 -14.685 1.00 73.14 N ATOM 1386 CD2 HIS A 83 11.311 14.963 -15.291 1.00 42.12 C ATOM 1387 CE1 HIS A 83 10.163 13.245 -15.994 1.00 45.31 C ATOM 1388 NE2 HIS A 83 10.917 14.245 -16.386 1.00 73.42 N ATOM 0 H HIS A 83 10.233 15.642 -10.269 1.00 61.44 H new ATOM 0 HA HIS A 83 10.943 16.808 -12.931 1.00 61.31 H new ATOM 0 HB2 HIS A 83 11.942 14.560 -12.440 1.00 3.42 H new ATOM 0 HB3 HIS A 83 10.330 13.929 -12.169 1.00 3.42 H new ATOM 0 HD2 HIS A 83 11.936 15.844 -15.293 1.00 42.12 H new ATOM 0 HE1 HIS A 83 9.712 12.504 -16.637 1.00 45.31 H new ATOM 0 HE2 HIS A 83 11.169 14.453 -17.352 1.00 73.42 H new ATOM 1397 N HIS A 84 8.516 17.154 -13.440 1.00 31.12 N ATOM 1398 CA HIS A 84 7.107 17.524 -13.670 1.00 21.51 C ATOM 1399 C HIS A 84 6.317 16.342 -14.277 1.00 34.03 C ATOM 1400 O HIS A 84 6.802 15.650 -15.180 1.00 11.21 O ATOM 1401 CB HIS A 84 7.015 18.785 -14.578 1.00 53.43 C ATOM 1402 CG HIS A 84 5.614 19.361 -14.715 1.00 52.05 C ATOM 1403 ND1 HIS A 84 5.171 20.442 -13.978 1.00 33.44 N ATOM 1404 CD2 HIS A 84 4.556 18.998 -15.498 1.00 45.15 C ATOM 1405 CE1 HIS A 84 3.922 20.713 -14.298 1.00 54.25 C ATOM 1406 NE2 HIS A 84 3.529 19.855 -15.214 1.00 64.00 N ATOM 0 H HIS A 84 9.173 17.651 -14.042 1.00 31.12 H new ATOM 0 HA HIS A 84 6.655 17.765 -12.708 1.00 21.51 H new ATOM 0 HB2 HIS A 84 7.674 19.555 -14.177 1.00 53.43 H new ATOM 0 HB3 HIS A 84 7.389 18.531 -15.570 1.00 53.43 H new ATOM 0 HD2 HIS A 84 4.534 18.185 -16.209 1.00 45.15 H new ATOM 0 HE1 HIS A 84 3.322 21.507 -13.878 1.00 54.25 H new ATOM 0 HE2 HIS A 84 2.605 19.832 -15.644 1.00 64.00 H new ATOM 1415 N HIS A 85 5.098 16.140 -13.758 1.00 45.51 N ATOM 1416 CA HIS A 85 4.150 15.102 -14.214 1.00 31.24 C ATOM 1417 C HIS A 85 2.725 15.702 -14.260 1.00 41.53 C ATOM 1418 O HIS A 85 1.955 15.375 -15.180 1.00 62.00 O ATOM 1419 CB HIS A 85 4.202 13.851 -13.292 1.00 55.24 C ATOM 1420 CG HIS A 85 3.774 14.073 -11.866 1.00 61.34 C ATOM 1421 ND1 HIS A 85 2.587 13.600 -11.362 1.00 74.13 N ATOM 1422 CD2 HIS A 85 4.380 14.724 -10.844 1.00 42.40 C ATOM 1423 CE1 HIS A 85 2.478 13.940 -10.106 1.00 35.32 C ATOM 1424 NE2 HIS A 85 3.552 14.629 -9.758 1.00 71.10 N ATOM 1425 OXT HIS A 85 2.395 16.537 -13.389 1.00 37.23 O ATOM 0 H HIS A 85 4.731 16.704 -12.992 1.00 45.51 H new ATOM 0 HA HIS A 85 4.433 14.774 -15.214 1.00 31.24 H new ATOM 0 HB2 HIS A 85 3.569 13.076 -13.725 1.00 55.24 H new ATOM 0 HB3 HIS A 85 5.222 13.466 -13.290 1.00 55.24 H new ATOM 0 HD2 HIS A 85 5.337 15.224 -10.879 1.00 42.40 H new ATOM 0 HE1 HIS A 85 1.648 13.699 -9.458 1.00 35.32 H new ATOM 0 HE2 HIS A 85 3.733 15.024 -8.835 1.00 71.10 H new TER 1434 HIS A 85