USER MOD reduce.3.24.130724 H: found=0, std=0, add=1172, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1172 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: B 23 MET CE :methyl 176:sc= -6.21! (180deg=-6.07!) USER MOD Set 1.2: B 27 TYR OH : rot -159:sc= 1.27 USER MOD Set 1.3: B 42 HIS : no HD1:sc= -1.41 K(o=-6.4,f=-7.4!) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.301 K(o=-0.3,f=-4.1!) USER MOD Set 2.2: A 33 ASN : amide:sc= 0 X(o=-0.3,f=-0.3) USER MOD Set 3.1: A 23 MET CE :methyl 160:sc= -3.34! (180deg=-3.74!) USER MOD Set 3.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 42 HIS : no HD1:sc= -1.18 K(o=-4.5,f=-3.3) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -153:sc= -3.4 (180deg=-5.21!) USER MOD Set 4.2: B 25 MET CE :methyl -152:sc= -6.57! (180deg=-6.01!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.57) USER MOD Single : A -1 GLY N :NH3+ -145:sc= 0.0322 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 76:sc= 0.0995 USER MOD Single : A 25 MET CE :methyl -145:sc=-0.00521 (180deg=-1.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 28 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1) USER MOD Single : A 44 CYS SG : rot -6:sc= 0.0513 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.128) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -110:sc= -0.449 (180deg=-2.89!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 1.03 (180deg=0.702) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 68 TYR OH : rot -15:sc= -0.256 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.859) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -151:sc= -4.27! (180deg=-5.07!) USER MOD Single : B 9 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.3) USER MOD Single : B -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : B 17 THR OG1 : rot 70:sc= 0.572 USER MOD Single : B 26 SER OG : rot 44:sc= 0.302 USER MOD Single : B 28 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : B 32 ASN : amide:sc= -0.184 K(o=-0.18,f=-3.3!) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -0.0721 K(o=-0.072,f=-0.86) USER MOD Single : B 44 CYS SG : rot -11:sc= 0.0612 USER MOD Single : B 46 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -35:sc= 1.1 USER MOD Single : B 55 MET CE :methyl -126:sc= -2.66! (180deg=-3.98!) USER MOD Single : B 57 THR OG1 : rot 59:sc= 0.522 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.532) USER MOD Single : B 64 SER OG : rot 180:sc= 0.0218 USER MOD Single : B 68 TYR OH : rot -79:sc= 0.13 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -18.569 -22.840 2.059 1.00 4.91 N ATOM 2 CA GLY A -1 -18.262 -21.704 2.957 1.00 4.20 C ATOM 3 C GLY A -1 -18.914 -20.425 2.483 1.00 3.49 C ATOM 4 O GLY A -1 -19.956 -20.455 1.821 1.00 3.95 O ATOM 0 H1 GLY A -1 -18.658 -23.711 2.620 1.00 4.91 H new ATOM 0 H2 GLY A -1 -19.463 -22.656 1.560 1.00 4.91 H new ATOM 0 H3 GLY A -1 -17.802 -22.952 1.366 1.00 4.91 H new ATOM 0 HA2 GLY A -1 -18.604 -21.935 3.966 1.00 4.20 H new ATOM 0 HA3 GLY A -1 -17.182 -21.564 3.011 1.00 4.20 H new ATOM 10 N ALA A 0 -18.301 -19.300 2.811 1.00 2.77 N ATOM 11 CA ALA A 0 -18.819 -18.005 2.405 1.00 2.34 C ATOM 12 C ALA A 0 -17.723 -17.168 1.768 1.00 1.88 C ATOM 13 O ALA A 0 -16.539 -17.352 2.056 1.00 2.13 O ATOM 14 CB ALA A 0 -19.411 -17.280 3.602 1.00 2.62 C ATOM 0 H ALA A 0 -17.442 -19.258 3.359 1.00 2.77 H new ATOM 0 HA ALA A 0 -19.605 -18.161 1.666 1.00 2.34 H new ATOM 0 HB1 ALA A 0 -19.796 -16.311 3.286 1.00 2.62 H new ATOM 0 HB2 ALA A 0 -20.223 -17.874 4.022 1.00 2.62 H new ATOM 0 HB3 ALA A 0 -18.639 -17.135 4.358 1.00 2.62 H new ATOM 20 N MET A 1 -18.117 -16.274 0.881 1.00 1.70 N ATOM 21 CA MET A 1 -17.187 -15.354 0.259 1.00 1.40 C ATOM 22 C MET A 1 -17.129 -14.065 1.064 1.00 1.10 C ATOM 23 O MET A 1 -18.164 -13.435 1.304 1.00 1.16 O ATOM 24 CB MET A 1 -17.619 -15.059 -1.178 1.00 1.82 C ATOM 25 CG MET A 1 -17.573 -16.274 -2.088 1.00 2.44 C ATOM 26 SD MET A 1 -18.091 -15.900 -3.775 1.00 2.97 S ATOM 27 CE MET A 1 -17.957 -17.516 -4.534 1.00 3.26 C ATOM 0 H MET A 1 -19.084 -16.166 0.574 1.00 1.70 H new ATOM 0 HA MET A 1 -16.196 -15.807 0.238 1.00 1.40 H new ATOM 0 HB2 MET A 1 -18.633 -14.660 -1.169 1.00 1.82 H new ATOM 0 HB3 MET A 1 -16.975 -14.282 -1.590 1.00 1.82 H new ATOM 0 HG2 MET A 1 -16.559 -16.673 -2.104 1.00 2.44 H new ATOM 0 HG3 MET A 1 -18.216 -17.054 -1.679 1.00 2.44 H new ATOM 0 HE1 MET A 1 -18.245 -17.450 -5.583 1.00 3.26 H new ATOM 0 HE2 MET A 1 -16.928 -17.868 -4.461 1.00 3.26 H new ATOM 0 HE3 MET A 1 -18.617 -18.215 -4.020 1.00 3.26 H new ATOM 37 N PRO A 2 -15.921 -13.668 1.510 1.00 0.85 N ATOM 38 CA PRO A 2 -15.714 -12.460 2.314 1.00 0.63 C ATOM 39 C PRO A 2 -16.384 -11.241 1.697 1.00 0.57 C ATOM 40 O PRO A 2 -16.195 -10.945 0.514 1.00 0.68 O ATOM 41 CB PRO A 2 -14.187 -12.279 2.330 1.00 0.60 C ATOM 42 CG PRO A 2 -13.658 -13.241 1.319 1.00 0.79 C ATOM 43 CD PRO A 2 -14.652 -14.361 1.264 1.00 0.89 C ATOM 0 HA PRO A 2 -16.148 -12.560 3.309 1.00 0.63 H new ATOM 0 HB2 PRO A 2 -13.911 -11.255 2.079 1.00 0.60 H new ATOM 0 HB3 PRO A 2 -13.778 -12.486 3.319 1.00 0.60 H new ATOM 0 HG2 PRO A 2 -13.551 -12.765 0.344 1.00 0.79 H new ATOM 0 HG3 PRO A 2 -12.672 -13.607 1.605 1.00 0.79 H new ATOM 0 HD2 PRO A 2 -14.644 -14.864 0.297 1.00 0.89 H new ATOM 0 HD3 PRO A 2 -14.451 -15.120 2.020 1.00 0.89 H new ATOM 51 N SER A 3 -17.176 -10.547 2.502 1.00 0.51 N ATOM 52 CA SER A 3 -17.899 -9.381 2.035 1.00 0.45 C ATOM 53 C SER A 3 -16.941 -8.225 1.772 1.00 0.34 C ATOM 54 O SER A 3 -15.773 -8.273 2.155 1.00 0.30 O ATOM 55 CB SER A 3 -18.962 -8.965 3.053 1.00 0.50 C ATOM 56 OG SER A 3 -19.757 -10.074 3.444 1.00 0.72 O ATOM 0 H SER A 3 -17.332 -10.775 3.484 1.00 0.51 H new ATOM 0 HA SER A 3 -18.395 -9.640 1.100 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.481 -8.532 3.930 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.598 -8.191 2.624 1.00 0.50 H new ATOM 0 HG SER A 3 -20.428 -9.782 4.096 1.00 0.72 H new ATOM 62 N LYS A 4 -17.439 -7.185 1.133 1.00 0.32 N ATOM 63 CA LYS A 4 -16.623 -6.029 0.786 1.00 0.28 C ATOM 64 C LYS A 4 -15.966 -5.400 2.021 1.00 0.22 C ATOM 65 O LYS A 4 -14.877 -4.836 1.932 1.00 0.22 O ATOM 66 CB LYS A 4 -17.492 -5.003 0.069 1.00 0.36 C ATOM 67 CG LYS A 4 -18.078 -5.512 -1.237 1.00 0.88 C ATOM 68 CD LYS A 4 -19.249 -4.664 -1.718 1.00 0.88 C ATOM 69 CE LYS A 4 -18.878 -3.198 -1.876 1.00 0.40 C ATOM 70 NZ LYS A 4 -18.929 -2.455 -0.586 1.00 1.69 N ATOM 0 H LYS A 4 -18.413 -7.113 0.840 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.819 -6.361 0.130 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -18.305 -4.702 0.730 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -16.897 -4.112 -0.132 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -17.301 -5.521 -2.002 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -18.409 -6.542 -1.107 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -19.606 -5.050 -2.673 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -20.073 -4.753 -1.010 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -17.875 -3.124 -2.295 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -19.557 -2.729 -2.589 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.125 -1.451 -0.771 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -19.682 -2.850 0.013 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -18.015 -2.545 -0.097 1.00 1.69 H new ATOM 84 N LEU A 5 -16.627 -5.503 3.170 1.00 0.22 N ATOM 85 CA LEU A 5 -16.092 -4.950 4.409 1.00 0.22 C ATOM 86 C LEU A 5 -14.942 -5.795 4.923 1.00 0.22 C ATOM 87 O LEU A 5 -13.972 -5.269 5.461 1.00 0.24 O ATOM 88 CB LEU A 5 -17.196 -4.781 5.459 1.00 0.25 C ATOM 89 CG LEU A 5 -16.742 -4.390 6.862 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.692 -3.364 7.454 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.680 -5.613 7.757 1.00 0.34 C ATOM 0 H LEU A 5 -17.532 -5.963 3.269 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.696 -3.956 4.199 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.894 -4.024 5.102 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.749 -5.718 5.527 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.746 -3.953 6.794 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.357 -3.093 8.455 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.706 -2.475 6.823 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.695 -3.786 7.509 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.355 -5.318 8.754 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.668 -6.070 7.818 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.973 -6.332 7.343 1.00 0.34 H new ATOM 103 N ALA A 6 -15.045 -7.104 4.754 1.00 0.23 N ATOM 104 CA ALA A 6 -13.914 -7.977 5.017 1.00 0.24 C ATOM 105 C ALA A 6 -12.696 -7.501 4.227 1.00 0.22 C ATOM 106 O ALA A 6 -11.581 -7.509 4.740 1.00 0.24 O ATOM 107 CB ALA A 6 -14.251 -9.423 4.672 1.00 0.28 C ATOM 0 H ALA A 6 -15.890 -7.580 4.440 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.681 -7.935 6.081 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.388 -10.057 4.878 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -15.096 -9.754 5.276 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.510 -9.494 3.616 1.00 0.28 H new ATOM 113 N LEU A 7 -12.930 -7.043 2.996 1.00 0.20 N ATOM 114 CA LEU A 7 -11.851 -6.537 2.149 1.00 0.19 C ATOM 115 C LEU A 7 -11.321 -5.186 2.636 1.00 0.18 C ATOM 116 O LEU A 7 -10.120 -5.033 2.838 1.00 0.18 O ATOM 117 CB LEU A 7 -12.332 -6.383 0.703 1.00 0.20 C ATOM 118 CG LEU A 7 -12.282 -7.639 -0.173 1.00 0.23 C ATOM 119 CD1 LEU A 7 -13.149 -8.750 0.397 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.722 -7.291 -1.585 1.00 0.25 C ATOM 0 H LEU A 7 -13.854 -7.012 2.565 1.00 0.20 H new ATOM 0 HA LEU A 7 -11.043 -7.266 2.202 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.360 -6.022 0.722 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.731 -5.610 0.224 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.255 -8.005 -0.193 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -13.090 -9.626 -0.249 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.796 -9.011 1.395 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -14.183 -8.411 0.455 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.686 -8.185 -2.208 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.741 -6.904 -1.564 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.055 -6.534 -1.998 1.00 0.25 H new ATOM 132 N ILE A 8 -12.213 -4.213 2.845 1.00 0.17 N ATOM 133 CA ILE A 8 -11.789 -2.881 3.294 1.00 0.17 C ATOM 134 C ILE A 8 -11.062 -2.941 4.637 1.00 0.18 C ATOM 135 O ILE A 8 -10.126 -2.180 4.874 1.00 0.20 O ATOM 136 CB ILE A 8 -12.946 -1.844 3.346 1.00 0.18 C ATOM 137 CG1 ILE A 8 -14.202 -2.420 3.979 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.238 -1.294 1.962 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.306 -2.135 5.459 1.00 0.24 C ATOM 0 H ILE A 8 -13.219 -4.318 2.713 1.00 0.17 H new ATOM 0 HA ILE A 8 -11.090 -2.531 2.534 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.616 -1.022 3.982 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -15.077 -2.010 3.474 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -14.219 -3.498 3.821 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -14.051 -0.570 2.022 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.346 -0.806 1.569 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.527 -2.110 1.300 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.224 -2.573 5.850 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.449 -2.569 5.974 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.320 -1.057 5.622 1.00 0.24 H new ATOM 151 N GLN A 9 -11.487 -3.850 5.510 1.00 0.19 N ATOM 152 CA GLN A 9 -10.855 -3.995 6.817 1.00 0.21 C ATOM 153 C GLN A 9 -9.491 -4.676 6.715 1.00 0.22 C ATOM 154 O GLN A 9 -8.571 -4.328 7.446 1.00 0.24 O ATOM 155 CB GLN A 9 -11.751 -4.774 7.780 1.00 0.22 C ATOM 156 CG GLN A 9 -13.048 -4.059 8.123 1.00 0.29 C ATOM 157 CD GLN A 9 -13.792 -4.713 9.268 1.00 0.90 C ATOM 158 OE1 GLN A 9 -13.726 -5.928 9.463 1.00 1.82 O ATOM 159 NE2 GLN A 9 -14.504 -3.907 10.036 1.00 1.37 N ATOM 0 H GLN A 9 -12.260 -4.493 5.338 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.706 -2.989 7.208 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -11.986 -5.743 7.340 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -11.199 -4.967 8.700 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -12.829 -3.023 8.382 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.690 -4.038 7.243 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -14.531 -2.907 9.839 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -15.027 -4.285 10.826 1.00 1.37 H new ATOM 168 N GLU A 10 -9.368 -5.654 5.829 1.00 0.21 N ATOM 169 CA GLU A 10 -8.114 -6.392 5.676 1.00 0.23 C ATOM 170 C GLU A 10 -7.068 -5.608 4.897 1.00 0.21 C ATOM 171 O GLU A 10 -5.886 -5.926 4.977 1.00 0.22 O ATOM 172 CB GLU A 10 -8.327 -7.772 5.049 1.00 0.25 C ATOM 173 CG GLU A 10 -8.780 -7.750 3.600 1.00 0.24 C ATOM 174 CD GLU A 10 -8.882 -9.143 3.018 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.843 -9.684 2.599 1.00 1.11 O ATOM 176 OE2 GLU A 10 -9.993 -9.707 2.980 1.00 1.15 O ATOM 0 H GLU A 10 -10.116 -5.957 5.205 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.732 -6.538 6.686 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.395 -8.333 5.115 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -9.067 -8.313 5.638 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.749 -7.256 3.530 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -8.079 -7.161 3.010 1.00 0.24 H new ATOM 183 N LEU A 11 -7.504 -4.633 4.102 1.00 0.18 N ATOM 184 CA LEU A 11 -6.574 -3.795 3.334 1.00 0.18 C ATOM 185 C LEU A 11 -5.382 -3.332 4.191 1.00 0.18 C ATOM 186 O LEU A 11 -4.238 -3.450 3.754 1.00 0.17 O ATOM 187 CB LEU A 11 -7.290 -2.583 2.725 1.00 0.19 C ATOM 188 CG LEU A 11 -8.388 -2.914 1.719 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.943 -1.642 1.108 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.869 -3.844 0.635 1.00 0.25 C ATOM 0 H LEU A 11 -8.489 -4.401 3.970 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.187 -4.413 2.524 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.725 -1.995 3.533 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.549 -1.952 2.235 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.192 -3.427 2.247 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.726 -1.894 0.392 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.359 -1.012 1.894 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -8.144 -1.105 0.598 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.671 -4.065 -0.070 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -7.045 -3.364 0.108 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.519 -4.771 1.088 1.00 0.25 H new ATOM 202 N PRO A 12 -5.616 -2.792 5.416 1.00 0.21 N ATOM 203 CA PRO A 12 -4.534 -2.486 6.360 1.00 0.25 C ATOM 204 C PRO A 12 -3.583 -3.662 6.601 1.00 0.26 C ATOM 205 O PRO A 12 -2.365 -3.492 6.587 1.00 0.28 O ATOM 206 CB PRO A 12 -5.272 -2.123 7.647 1.00 0.30 C ATOM 207 CG PRO A 12 -6.576 -1.585 7.186 1.00 0.27 C ATOM 208 CD PRO A 12 -6.929 -2.366 5.950 1.00 0.22 C ATOM 0 HA PRO A 12 -3.891 -1.694 5.977 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.406 -2.995 8.288 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.720 -1.383 8.227 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.341 -1.702 7.954 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.504 -0.519 6.968 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.562 -3.222 6.184 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.474 -1.754 5.231 1.00 0.22 H new ATOM 216 N ASP A 13 -4.139 -4.851 6.813 1.00 0.26 N ATOM 217 CA ASP A 13 -3.333 -6.048 7.066 1.00 0.29 C ATOM 218 C ASP A 13 -2.505 -6.395 5.835 1.00 0.25 C ATOM 219 O ASP A 13 -1.311 -6.691 5.931 1.00 0.26 O ATOM 220 CB ASP A 13 -4.231 -7.232 7.437 1.00 0.36 C ATOM 221 CG ASP A 13 -4.969 -7.021 8.743 1.00 0.98 C ATOM 222 OD1 ASP A 13 -6.076 -6.444 8.721 1.00 1.86 O ATOM 223 OD2 ASP A 13 -4.443 -7.430 9.799 1.00 1.40 O ATOM 0 H ASP A 13 -5.146 -5.015 6.815 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.663 -5.840 7.900 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.954 -7.398 6.639 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.624 -8.134 7.510 1.00 0.36 H new ATOM 228 N ARG A 14 -3.163 -6.355 4.684 1.00 0.22 N ATOM 229 CA ARG A 14 -2.501 -6.553 3.396 1.00 0.22 C ATOM 230 C ARG A 14 -1.359 -5.569 3.209 1.00 0.20 C ATOM 231 O ARG A 14 -0.269 -5.950 2.803 1.00 0.22 O ATOM 232 CB ARG A 14 -3.488 -6.405 2.240 1.00 0.28 C ATOM 233 CG ARG A 14 -4.413 -7.590 2.069 1.00 0.53 C ATOM 234 CD ARG A 14 -5.413 -7.346 0.952 1.00 0.50 C ATOM 235 NE ARG A 14 -6.378 -8.435 0.839 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.621 -9.121 -0.274 1.00 0.72 C ATOM 237 NH1 ARG A 14 -5.937 -8.878 -1.387 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.545 -10.067 -0.265 1.00 1.15 N ATOM 0 H ARG A 14 -4.166 -6.185 4.614 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.101 -7.567 3.395 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.087 -5.509 2.399 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -2.930 -6.255 1.316 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.828 -8.483 1.849 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.944 -7.778 3.002 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -5.941 -6.410 1.135 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.882 -7.232 0.007 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.905 -8.688 1.675 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -5.215 -8.158 -1.395 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -6.134 -9.412 -2.233 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -8.064 -10.265 0.591 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.739 -10.599 -1.114 1.00 1.15 H new ATOM 252 N ILE A 15 -1.609 -4.305 3.513 1.00 0.19 N ATOM 253 CA ILE A 15 -0.596 -3.274 3.356 1.00 0.20 C ATOM 254 C ILE A 15 0.519 -3.444 4.383 1.00 0.21 C ATOM 255 O ILE A 15 1.676 -3.145 4.104 1.00 0.21 O ATOM 256 CB ILE A 15 -1.221 -1.857 3.415 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.946 -1.120 2.101 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.724 -1.051 4.609 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.510 -0.755 1.886 1.00 0.25 C ATOM 0 H ILE A 15 -2.504 -3.969 3.869 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.151 -3.387 2.368 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.297 -1.970 3.548 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -1.279 -1.743 1.271 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.545 -0.210 2.076 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.192 -0.067 4.604 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -0.982 -1.571 5.532 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.358 -0.938 4.547 1.00 0.25 H new ATOM 0 HD11 ILE A 15 0.618 -0.236 0.933 1.00 0.25 H new ATOM 0 HD12 ILE A 15 0.845 -0.104 2.694 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.115 -1.662 1.876 1.00 0.25 H new ATOM 271 N GLN A 16 0.177 -3.952 5.561 1.00 0.23 N ATOM 272 CA GLN A 16 1.183 -4.284 6.561 1.00 0.26 C ATOM 273 C GLN A 16 2.092 -5.386 6.023 1.00 0.25 C ATOM 274 O GLN A 16 3.276 -5.447 6.344 1.00 0.29 O ATOM 275 CB GLN A 16 0.513 -4.717 7.870 1.00 0.33 C ATOM 276 CG GLN A 16 1.490 -5.139 8.957 1.00 0.78 C ATOM 277 CD GLN A 16 0.803 -5.439 10.274 1.00 1.16 C ATOM 278 OE1 GLN A 16 0.648 -4.558 11.122 1.00 1.70 O ATOM 279 NE2 GLN A 16 0.391 -6.683 10.459 1.00 1.91 N ATOM 0 H GLN A 16 -0.784 -4.142 5.846 1.00 0.23 H new ATOM 0 HA GLN A 16 1.788 -3.402 6.771 1.00 0.26 H new ATOM 0 HB2 GLN A 16 -0.096 -3.894 8.243 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.164 -5.546 7.663 1.00 0.33 H new ATOM 0 HG2 GLN A 16 2.036 -6.023 8.627 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.225 -4.348 9.107 1.00 0.78 H new ATOM 0 HE21 GLN A 16 0.539 -7.383 9.732 1.00 1.91 H new ATOM 0 HE22 GLN A 16 -0.074 -6.942 11.329 1.00 1.91 H new ATOM 288 N THR A 17 1.526 -6.232 5.177 1.00 0.23 N ATOM 289 CA THR A 17 2.275 -7.284 4.509 1.00 0.25 C ATOM 290 C THR A 17 3.014 -6.741 3.286 1.00 0.22 C ATOM 291 O THR A 17 4.075 -7.239 2.906 1.00 0.27 O ATOM 292 CB THR A 17 1.329 -8.430 4.097 1.00 0.30 C ATOM 293 OG1 THR A 17 0.749 -9.018 5.267 1.00 0.38 O ATOM 294 CG2 THR A 17 2.046 -9.500 3.293 1.00 0.32 C ATOM 0 H THR A 17 0.536 -6.209 4.934 1.00 0.23 H new ATOM 0 HA THR A 17 3.017 -7.670 5.208 1.00 0.25 H new ATOM 0 HB THR A 17 0.551 -8.005 3.463 1.00 0.30 H new ATOM 0 HG1 THR A 17 0.052 -8.426 5.620 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.341 -10.287 3.025 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.459 -9.058 2.386 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.853 -9.924 3.890 1.00 0.32 H new ATOM 302 N ALA A 18 2.463 -5.699 2.691 1.00 0.22 N ATOM 303 CA ALA A 18 3.085 -5.057 1.553 1.00 0.23 C ATOM 304 C ALA A 18 4.320 -4.302 2.001 1.00 0.24 C ATOM 305 O ALA A 18 5.241 -4.073 1.221 1.00 0.29 O ATOM 306 CB ALA A 18 2.105 -4.118 0.867 1.00 0.26 C ATOM 0 H ALA A 18 1.580 -5.279 2.981 1.00 0.22 H new ATOM 0 HA ALA A 18 3.380 -5.822 0.835 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.591 -3.645 0.014 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.239 -4.684 0.523 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.782 -3.352 1.571 1.00 0.26 H new ATOM 312 N VAL A 19 4.340 -3.930 3.274 1.00 0.24 N ATOM 313 CA VAL A 19 5.422 -3.125 3.799 1.00 0.29 C ATOM 314 C VAL A 19 6.384 -3.920 4.679 1.00 0.23 C ATOM 315 O VAL A 19 7.536 -3.528 4.821 1.00 0.27 O ATOM 316 CB VAL A 19 4.895 -1.918 4.604 1.00 0.49 C ATOM 317 CG1 VAL A 19 3.912 -1.102 3.781 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.259 -2.369 5.908 1.00 1.77 C ATOM 0 H VAL A 19 3.621 -4.174 3.955 1.00 0.24 H new ATOM 0 HA VAL A 19 5.969 -2.774 2.924 1.00 0.29 H new ATOM 0 HB VAL A 19 5.746 -1.281 4.845 1.00 0.49 H new ATOM 0 HG11 VAL A 19 3.556 -0.258 4.371 1.00 1.09 H new ATOM 0 HG12 VAL A 19 4.407 -0.733 2.883 1.00 1.09 H new ATOM 0 HG13 VAL A 19 3.066 -1.729 3.498 1.00 1.09 H new ATOM 0 HG21 VAL A 19 3.896 -1.499 6.456 1.00 1.77 H new ATOM 0 HG22 VAL A 19 3.425 -3.037 5.694 1.00 1.77 H new ATOM 0 HG23 VAL A 19 4.999 -2.895 6.511 1.00 1.77 H new ATOM 328 N GLU A 20 5.924 -5.031 5.253 1.00 0.22 N ATOM 329 CA GLU A 20 6.714 -5.769 6.243 1.00 0.25 C ATOM 330 C GLU A 20 8.074 -6.174 5.689 1.00 0.26 C ATOM 331 O GLU A 20 9.082 -6.126 6.395 1.00 0.30 O ATOM 332 CB GLU A 20 5.951 -7.003 6.730 1.00 0.28 C ATOM 333 CG GLU A 20 5.505 -7.934 5.624 1.00 0.30 C ATOM 334 CD GLU A 20 4.953 -9.234 6.164 1.00 0.96 C ATOM 335 OE1 GLU A 20 3.772 -9.273 6.568 1.00 1.93 O ATOM 336 OE2 GLU A 20 5.706 -10.226 6.208 1.00 1.32 O ATOM 0 H GLU A 20 5.012 -5.440 5.052 1.00 0.22 H new ATOM 0 HA GLU A 20 6.884 -5.102 7.088 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.584 -7.557 7.423 1.00 0.28 H new ATOM 0 HB3 GLU A 20 5.075 -6.677 7.290 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.744 -7.440 5.020 1.00 0.30 H new ATOM 0 HG3 GLU A 20 6.348 -8.144 4.965 1.00 0.30 H new ATOM 343 N ALA A 21 8.091 -6.562 4.423 1.00 0.28 N ATOM 344 CA ALA A 21 9.327 -6.925 3.754 1.00 0.32 C ATOM 345 C ALA A 21 10.329 -5.770 3.793 1.00 0.30 C ATOM 346 O ALA A 21 11.465 -5.936 4.227 1.00 0.31 O ATOM 347 CB ALA A 21 9.044 -7.338 2.318 1.00 0.40 C ATOM 0 H ALA A 21 7.259 -6.633 3.838 1.00 0.28 H new ATOM 0 HA ALA A 21 9.768 -7.771 4.282 1.00 0.32 H new ATOM 0 HB1 ALA A 21 9.978 -7.608 1.826 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.370 -8.195 2.312 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.580 -6.508 1.785 1.00 0.40 H new ATOM 353 N ALA A 22 9.890 -4.595 3.359 1.00 0.28 N ATOM 354 CA ALA A 22 10.752 -3.418 3.322 1.00 0.29 C ATOM 355 C ALA A 22 11.005 -2.847 4.714 1.00 0.31 C ATOM 356 O ALA A 22 12.069 -2.292 4.977 1.00 0.35 O ATOM 357 CB ALA A 22 10.169 -2.366 2.401 1.00 0.30 C ATOM 0 H ALA A 22 8.940 -4.431 3.027 1.00 0.28 H new ATOM 0 HA ALA A 22 11.719 -3.731 2.928 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.823 -1.494 2.384 1.00 0.30 H new ATOM 0 HB2 ALA A 22 10.081 -2.773 1.394 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.183 -2.073 2.762 1.00 0.30 H new ATOM 363 N MET A 23 10.017 -2.961 5.598 1.00 0.30 N ATOM 364 CA MET A 23 10.180 -2.515 6.978 1.00 0.35 C ATOM 365 C MET A 23 11.283 -3.315 7.648 1.00 0.40 C ATOM 366 O MET A 23 12.144 -2.762 8.329 1.00 0.46 O ATOM 367 CB MET A 23 8.878 -2.665 7.775 1.00 0.33 C ATOM 368 CG MET A 23 7.780 -1.686 7.383 1.00 0.38 C ATOM 369 SD MET A 23 8.253 0.036 7.612 1.00 0.72 S ATOM 370 CE MET A 23 8.533 0.532 5.918 1.00 0.53 C ATOM 0 H MET A 23 9.101 -3.356 5.385 1.00 0.30 H new ATOM 0 HA MET A 23 10.446 -1.458 6.961 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.504 -3.681 7.647 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.099 -2.538 8.835 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.514 -1.847 6.338 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.889 -1.893 7.975 1.00 0.38 H new ATOM 0 HE1 MET A 23 8.483 1.618 5.844 1.00 0.53 H new ATOM 0 HE2 MET A 23 9.518 0.192 5.597 1.00 0.53 H new ATOM 0 HE3 MET A 23 7.770 0.089 5.278 1.00 0.53 H new ATOM 380 N GLY A 24 11.251 -4.624 7.438 1.00 0.40 N ATOM 381 CA GLY A 24 12.278 -5.486 7.973 1.00 0.48 C ATOM 382 C GLY A 24 13.479 -5.618 7.054 1.00 0.46 C ATOM 383 O GLY A 24 14.233 -6.588 7.150 1.00 0.57 O ATOM 0 H GLY A 24 10.527 -5.103 6.903 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.606 -5.097 8.937 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.856 -6.475 8.155 1.00 0.48 H new ATOM 387 N MET A 25 13.660 -4.649 6.163 1.00 0.44 N ATOM 388 CA MET A 25 14.816 -4.640 5.275 1.00 0.46 C ATOM 389 C MET A 25 16.063 -4.262 6.055 1.00 0.48 C ATOM 390 O MET A 25 16.038 -3.349 6.879 1.00 0.57 O ATOM 391 CB MET A 25 14.633 -3.646 4.123 1.00 0.56 C ATOM 392 CG MET A 25 15.803 -3.644 3.151 1.00 0.53 C ATOM 393 SD MET A 25 16.176 -2.018 2.476 1.00 1.04 S ATOM 394 CE MET A 25 14.705 -1.713 1.519 1.00 0.76 C ATOM 0 H MET A 25 13.023 -3.862 6.037 1.00 0.44 H new ATOM 0 HA MET A 25 14.919 -5.642 4.858 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.718 -3.889 3.582 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.505 -2.644 4.532 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.687 -4.029 3.659 1.00 0.53 H new ATOM 0 HG3 MET A 25 15.584 -4.327 2.330 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.966 -1.157 0.619 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.249 -2.663 1.239 1.00 0.76 H new ATOM 0 HE3 MET A 25 13.999 -1.133 2.112 1.00 0.76 H new ATOM 404 N SER A 26 17.155 -4.948 5.786 1.00 0.54 N ATOM 405 CA SER A 26 18.409 -4.656 6.447 1.00 0.65 C ATOM 406 C SER A 26 19.163 -3.536 5.739 1.00 0.79 C ATOM 407 O SER A 26 20.282 -3.709 5.258 1.00 1.68 O ATOM 408 CB SER A 26 19.245 -5.913 6.513 1.00 0.79 C ATOM 409 OG SER A 26 19.203 -6.609 5.276 1.00 1.67 O ATOM 0 H SER A 26 17.199 -5.713 5.113 1.00 0.54 H new ATOM 0 HA SER A 26 18.200 -4.311 7.460 1.00 0.65 H new ATOM 0 HB2 SER A 26 20.276 -5.658 6.757 1.00 0.79 H new ATOM 0 HB3 SER A 26 18.878 -6.558 7.312 1.00 0.79 H new ATOM 0 HG SER A 26 19.751 -7.419 5.338 1.00 1.67 H new ATOM 415 N TYR A 27 18.532 -2.378 5.692 1.00 0.54 N ATOM 416 CA TYR A 27 19.138 -1.184 5.123 1.00 0.44 C ATOM 417 C TYR A 27 20.177 -0.628 6.094 1.00 0.43 C ATOM 418 O TYR A 27 20.945 0.269 5.763 1.00 0.40 O ATOM 419 CB TYR A 27 18.055 -0.133 4.850 1.00 0.40 C ATOM 420 CG TYR A 27 17.398 0.390 6.109 1.00 0.38 C ATOM 421 CD1 TYR A 27 16.431 -0.351 6.776 1.00 1.19 C ATOM 422 CD2 TYR A 27 17.774 1.612 6.648 1.00 1.31 C ATOM 423 CE1 TYR A 27 15.863 0.107 7.941 1.00 1.24 C ATOM 424 CE2 TYR A 27 17.208 2.085 7.808 1.00 1.32 C ATOM 425 CZ TYR A 27 16.252 1.330 8.457 1.00 0.50 C ATOM 426 OH TYR A 27 15.685 1.800 9.621 1.00 0.61 O ATOM 0 H TYR A 27 17.586 -2.236 6.046 1.00 0.54 H new ATOM 0 HA TYR A 27 19.628 -1.437 4.183 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.497 0.701 4.306 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.292 -0.567 4.204 1.00 0.40 H new ATOM 0 HD1 TYR A 27 16.120 -1.303 6.372 1.00 1.19 H new ATOM 0 HD2 TYR A 27 18.526 2.203 6.146 1.00 1.31 H new ATOM 0 HE1 TYR A 27 15.117 -0.485 8.451 1.00 1.24 H new ATOM 0 HE2 TYR A 27 17.509 3.041 8.209 1.00 1.32 H new ATOM 0 HH TYR A 27 16.071 2.673 9.844 1.00 0.61 H new ATOM 436 N GLN A 28 20.194 -1.207 7.290 1.00 0.55 N ATOM 437 CA GLN A 28 21.025 -0.734 8.393 1.00 0.63 C ATOM 438 C GLN A 28 22.497 -0.905 8.080 1.00 0.66 C ATOM 439 O GLN A 28 23.331 -0.118 8.519 1.00 0.77 O ATOM 440 CB GLN A 28 20.695 -1.521 9.657 1.00 0.74 C ATOM 441 CG GLN A 28 19.210 -1.605 9.934 1.00 1.35 C ATOM 442 CD GLN A 28 18.851 -2.741 10.868 1.00 1.68 C ATOM 443 OE1 GLN A 28 17.765 -3.308 10.773 1.00 2.31 O ATOM 444 NE2 GLN A 28 19.752 -3.083 11.772 1.00 1.92 N ATOM 0 H GLN A 28 19.628 -2.023 7.523 1.00 0.55 H new ATOM 0 HA GLN A 28 20.818 0.326 8.541 1.00 0.63 H new ATOM 0 HB2 GLN A 28 21.099 -2.529 9.566 1.00 0.74 H new ATOM 0 HB3 GLN A 28 21.191 -1.055 10.508 1.00 0.74 H new ATOM 0 HG2 GLN A 28 18.872 -0.664 10.367 1.00 1.35 H new ATOM 0 HG3 GLN A 28 18.676 -1.732 8.992 1.00 1.35 H new ATOM 0 HE21 GLN A 28 20.642 -2.587 11.818 1.00 1.92 H new ATOM 0 HE22 GLN A 28 19.557 -3.843 12.424 1.00 1.92 H new ATOM 453 N ASP A 29 22.814 -1.944 7.323 1.00 0.68 N ATOM 454 CA ASP A 29 24.199 -2.256 7.026 1.00 0.81 C ATOM 455 C ASP A 29 24.741 -1.309 5.956 1.00 0.70 C ATOM 456 O ASP A 29 25.953 -1.154 5.798 1.00 0.86 O ATOM 457 CB ASP A 29 24.338 -3.717 6.583 1.00 0.95 C ATOM 458 CG ASP A 29 25.785 -4.159 6.488 1.00 1.66 C ATOM 459 OD1 ASP A 29 26.556 -3.911 7.442 1.00 2.34 O ATOM 460 OD2 ASP A 29 26.158 -4.780 5.473 1.00 2.31 O ATOM 0 H ASP A 29 22.134 -2.580 6.907 1.00 0.68 H new ATOM 0 HA ASP A 29 24.788 -2.119 7.933 1.00 0.81 H new ATOM 0 HB2 ASP A 29 23.811 -4.359 7.289 1.00 0.95 H new ATOM 0 HB3 ASP A 29 23.857 -3.847 5.613 1.00 0.95 H new ATOM 465 N ALA A 30 23.825 -0.658 5.249 1.00 0.55 N ATOM 466 CA ALA A 30 24.177 0.307 4.215 1.00 0.48 C ATOM 467 C ALA A 30 24.608 1.626 4.847 1.00 0.44 C ATOM 468 O ALA A 30 24.237 1.907 5.984 1.00 0.47 O ATOM 469 CB ALA A 30 22.983 0.533 3.292 1.00 0.47 C ATOM 0 H ALA A 30 22.821 -0.784 5.376 1.00 0.55 H new ATOM 0 HA ALA A 30 25.009 -0.087 3.632 1.00 0.48 H new ATOM 0 HB1 ALA A 30 23.251 1.255 2.521 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.701 -0.410 2.824 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.143 0.916 3.871 1.00 0.47 H new ATOM 475 N PRO A 31 25.416 2.443 4.137 1.00 0.45 N ATOM 476 CA PRO A 31 25.785 3.777 4.606 1.00 0.48 C ATOM 477 C PRO A 31 24.591 4.567 5.083 1.00 0.41 C ATOM 478 O PRO A 31 23.496 4.474 4.536 1.00 0.34 O ATOM 479 CB PRO A 31 26.353 4.454 3.377 1.00 0.57 C ATOM 480 CG PRO A 31 26.893 3.348 2.540 1.00 0.56 C ATOM 481 CD PRO A 31 26.056 2.125 2.847 1.00 0.50 C ATOM 0 HA PRO A 31 26.474 3.717 5.448 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.584 5.013 2.844 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.135 5.164 3.644 1.00 0.57 H new ATOM 0 HG2 PRO A 31 26.836 3.600 1.481 1.00 0.56 H new ATOM 0 HG3 PRO A 31 27.943 3.166 2.769 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.315 1.943 2.068 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.671 1.228 2.917 1.00 0.50 H new ATOM 489 N ASN A 32 24.844 5.367 6.095 1.00 0.45 N ATOM 490 CA ASN A 32 23.821 6.139 6.767 1.00 0.41 C ATOM 491 C ASN A 32 22.999 7.006 5.816 1.00 0.38 C ATOM 492 O ASN A 32 21.799 7.129 6.000 1.00 0.37 O ATOM 493 CB ASN A 32 24.452 7.010 7.853 1.00 0.50 C ATOM 494 CG ASN A 32 25.437 8.034 7.322 1.00 1.48 C ATOM 495 OD1 ASN A 32 26.127 7.808 6.327 1.00 2.40 O ATOM 496 ND2 ASN A 32 25.509 9.172 7.986 1.00 1.87 N ATOM 0 H ASN A 32 25.779 5.502 6.480 1.00 0.45 H new ATOM 0 HA ASN A 32 23.132 5.423 7.214 1.00 0.41 H new ATOM 0 HB2 ASN A 32 23.661 7.528 8.395 1.00 0.50 H new ATOM 0 HB3 ASN A 32 24.962 6.367 8.570 1.00 0.50 H new ATOM 0 HD21 ASN A 32 26.153 9.902 7.679 1.00 1.87 H new ATOM 0 HD22 ASN A 32 24.921 9.322 8.806 1.00 1.87 H new ATOM 503 N ASN A 33 23.618 7.616 4.813 1.00 0.42 N ATOM 504 CA ASN A 33 22.864 8.471 3.898 1.00 0.45 C ATOM 505 C ASN A 33 22.070 7.655 2.878 1.00 0.41 C ATOM 506 O ASN A 33 20.934 7.997 2.560 1.00 0.40 O ATOM 507 CB ASN A 33 23.759 9.471 3.168 1.00 0.58 C ATOM 508 CG ASN A 33 24.431 10.466 4.097 1.00 1.43 C ATOM 509 OD1 ASN A 33 25.509 10.210 4.632 1.00 2.14 O ATOM 510 ND2 ASN A 33 23.807 11.621 4.277 1.00 2.17 N ATOM 0 H ASN A 33 24.615 7.540 4.613 1.00 0.42 H new ATOM 0 HA ASN A 33 22.165 9.028 4.521 1.00 0.45 H new ATOM 0 HB2 ASN A 33 24.525 8.927 2.615 1.00 0.58 H new ATOM 0 HB3 ASN A 33 23.162 10.014 2.435 1.00 0.58 H new ATOM 0 HD21 ASN A 33 24.219 12.335 4.877 1.00 2.17 H new ATOM 0 HD22 ASN A 33 22.914 11.796 3.816 1.00 2.17 H new ATOM 517 N VAL A 34 22.652 6.577 2.359 1.00 0.42 N ATOM 518 CA VAL A 34 21.930 5.752 1.395 1.00 0.46 C ATOM 519 C VAL A 34 20.824 4.988 2.110 1.00 0.39 C ATOM 520 O VAL A 34 19.722 4.838 1.589 1.00 0.39 O ATOM 521 CB VAL A 34 22.844 4.785 0.600 1.00 0.60 C ATOM 522 CG1 VAL A 34 24.029 5.534 0.009 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.312 3.617 1.445 1.00 0.61 C ATOM 0 H VAL A 34 23.596 6.260 2.582 1.00 0.42 H new ATOM 0 HA VAL A 34 21.500 6.425 0.654 1.00 0.46 H new ATOM 0 HB VAL A 34 22.249 4.372 -0.215 1.00 0.60 H new ATOM 0 HG11 VAL A 34 24.659 4.839 -0.545 1.00 1.39 H new ATOM 0 HG12 VAL A 34 23.669 6.312 -0.664 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.609 5.988 0.812 1.00 1.39 H new ATOM 0 HG21 VAL A 34 23.949 2.967 0.846 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.876 3.990 2.300 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.448 3.054 1.797 1.00 0.61 H new ATOM 533 N ARG A 35 21.118 4.546 3.328 1.00 0.37 N ATOM 534 CA ARG A 35 20.120 3.928 4.178 1.00 0.37 C ATOM 535 C ARG A 35 19.050 4.948 4.521 1.00 0.32 C ATOM 536 O ARG A 35 17.929 4.584 4.786 1.00 0.36 O ATOM 537 CB ARG A 35 20.720 3.307 5.442 1.00 0.42 C ATOM 538 CG ARG A 35 20.918 4.279 6.593 1.00 0.40 C ATOM 539 CD ARG A 35 21.275 3.569 7.889 1.00 0.50 C ATOM 540 NE ARG A 35 22.626 3.015 7.867 1.00 1.03 N ATOM 541 CZ ARG A 35 23.456 3.035 8.910 1.00 1.33 C ATOM 542 NH1 ARG A 35 23.055 3.522 10.079 1.00 1.61 N ATOM 543 NH2 ARG A 35 24.682 2.547 8.786 1.00 2.14 N ATOM 0 H ARG A 35 22.046 4.607 3.746 1.00 0.37 H new ATOM 0 HA ARG A 35 19.673 3.103 3.624 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.072 2.497 5.776 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.683 2.862 5.190 1.00 0.42 H new ATOM 0 HG2 ARG A 35 21.708 4.985 6.338 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.006 4.859 6.738 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.186 4.269 8.720 1.00 0.50 H new ATOM 0 HD3 ARG A 35 20.559 2.767 8.070 1.00 0.50 H new ATOM 0 HE ARG A 35 22.954 2.587 7.001 1.00 1.03 H new ATOM 0 HH11 ARG A 35 22.107 3.884 10.183 1.00 1.61 H new ATOM 0 HH12 ARG A 35 23.695 3.534 10.873 1.00 1.61 H new ATOM 0 HH21 ARG A 35 24.988 2.158 7.894 1.00 2.14 H new ATOM 0 HH22 ARG A 35 25.319 2.561 9.582 1.00 2.14 H new ATOM 557 N ARG A 36 19.438 6.217 4.609 1.00 0.29 N ATOM 558 CA ARG A 36 18.479 7.314 4.759 1.00 0.29 C ATOM 559 C ARG A 36 17.495 7.376 3.598 1.00 0.28 C ATOM 560 O ARG A 36 16.359 7.795 3.774 1.00 0.29 O ATOM 561 CB ARG A 36 19.169 8.657 4.873 1.00 0.33 C ATOM 562 CG ARG A 36 19.283 9.193 6.287 1.00 0.45 C ATOM 563 CD ARG A 36 19.347 8.095 7.335 1.00 0.75 C ATOM 564 NE ARG A 36 19.800 8.610 8.625 1.00 1.43 N ATOM 565 CZ ARG A 36 19.700 7.949 9.776 1.00 2.20 C ATOM 566 NH1 ARG A 36 19.097 6.770 9.825 1.00 2.57 N ATOM 567 NH2 ARG A 36 20.196 8.474 10.885 1.00 3.03 N ATOM 0 H ARG A 36 20.413 6.515 4.579 1.00 0.29 H new ATOM 0 HA ARG A 36 17.937 7.105 5.681 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.170 8.573 4.449 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.626 9.382 4.267 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.176 9.813 6.364 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.429 9.837 6.495 1.00 0.45 H new ATOM 0 HD2 ARG A 36 18.362 7.642 7.449 1.00 0.75 H new ATOM 0 HD3 ARG A 36 20.023 7.309 6.999 1.00 0.75 H new ATOM 0 HE ARG A 36 20.221 9.539 8.645 1.00 1.43 H new ATOM 0 HH11 ARG A 36 18.705 6.362 8.976 1.00 2.57 H new ATOM 0 HH12 ARG A 36 19.025 6.270 10.711 1.00 2.57 H new ATOM 0 HH21 ARG A 36 20.655 9.385 10.857 1.00 3.03 H new ATOM 0 HH22 ARG A 36 20.120 7.968 11.767 1.00 3.03 H new ATOM 581 N ASP A 37 17.934 7.045 2.396 1.00 0.30 N ATOM 582 CA ASP A 37 16.989 6.929 1.290 1.00 0.30 C ATOM 583 C ASP A 37 16.031 5.781 1.563 1.00 0.25 C ATOM 584 O ASP A 37 14.849 5.839 1.219 1.00 0.24 O ATOM 585 CB ASP A 37 17.696 6.747 -0.047 1.00 0.37 C ATOM 586 CG ASP A 37 17.960 8.074 -0.728 1.00 0.67 C ATOM 587 OD1 ASP A 37 17.016 8.641 -1.323 1.00 1.31 O ATOM 588 OD2 ASP A 37 19.102 8.567 -0.674 1.00 1.19 O ATOM 0 H ASP A 37 18.908 6.856 2.160 1.00 0.30 H new ATOM 0 HA ASP A 37 16.426 7.860 1.220 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.640 6.224 0.109 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.087 6.119 -0.698 1.00 0.37 H new ATOM 593 N LEU A 38 16.548 4.748 2.217 1.00 0.24 N ATOM 594 CA LEU A 38 15.708 3.686 2.754 1.00 0.22 C ATOM 595 C LEU A 38 14.894 4.214 3.946 1.00 0.23 C ATOM 596 O LEU A 38 13.840 3.687 4.263 1.00 0.24 O ATOM 597 CB LEU A 38 16.542 2.470 3.192 1.00 0.29 C ATOM 598 CG LEU A 38 17.144 1.596 2.077 1.00 0.30 C ATOM 599 CD1 LEU A 38 16.219 1.522 0.888 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.514 2.081 1.649 1.00 0.47 C ATOM 0 H LEU A 38 17.546 4.624 2.388 1.00 0.24 H new ATOM 0 HA LEU A 38 15.033 3.363 1.962 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.358 2.828 3.820 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.913 1.836 3.817 1.00 0.29 H new ATOM 0 HG LEU A 38 17.263 0.595 2.491 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.669 0.898 0.115 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.267 1.090 1.194 1.00 0.64 H new ATOM 0 HD13 LEU A 38 16.052 2.524 0.494 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.899 1.434 0.861 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.438 3.102 1.276 1.00 0.47 H new ATOM 0 HD23 LEU A 38 19.192 2.056 2.502 1.00 0.47 H new ATOM 612 N ASP A 39 15.428 5.237 4.618 1.00 0.25 N ATOM 613 CA ASP A 39 14.731 5.919 5.713 1.00 0.28 C ATOM 614 C ASP A 39 13.508 6.643 5.179 1.00 0.28 C ATOM 615 O ASP A 39 12.434 6.608 5.773 1.00 0.32 O ATOM 616 CB ASP A 39 15.652 6.905 6.439 1.00 0.32 C ATOM 617 CG ASP A 39 14.936 7.669 7.537 1.00 0.71 C ATOM 618 OD1 ASP A 39 14.730 7.094 8.627 1.00 1.33 O ATOM 619 OD2 ASP A 39 14.587 8.849 7.311 1.00 1.59 O ATOM 0 H ASP A 39 16.354 5.616 4.419 1.00 0.25 H new ATOM 0 HA ASP A 39 14.418 5.163 6.434 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.494 6.362 6.868 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.063 7.612 5.718 1.00 0.32 H new ATOM 624 N ASN A 40 13.685 7.286 4.038 1.00 0.26 N ATOM 625 CA ASN A 40 12.590 7.936 3.342 1.00 0.26 C ATOM 626 C ASN A 40 11.571 6.897 2.892 1.00 0.23 C ATOM 627 O ASN A 40 10.365 7.123 2.971 1.00 0.25 O ATOM 628 CB ASN A 40 13.123 8.740 2.151 1.00 0.28 C ATOM 629 CG ASN A 40 13.874 9.985 2.590 1.00 0.68 C ATOM 630 OD1 ASN A 40 13.535 10.604 3.596 1.00 1.13 O ATOM 631 ND2 ASN A 40 14.902 10.360 1.844 1.00 1.22 N ATOM 0 H ASN A 40 14.587 7.372 3.570 1.00 0.26 H new ATOM 0 HA ASN A 40 12.094 8.629 4.021 1.00 0.26 H new ATOM 0 HB2 ASN A 40 13.784 8.110 1.556 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.292 9.027 1.507 1.00 0.28 H new ATOM 0 HD21 ASN A 40 15.441 11.188 2.098 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.154 9.821 1.015 1.00 1.22 H new ATOM 638 N LEU A 41 12.068 5.749 2.427 1.00 0.21 N ATOM 639 CA LEU A 41 11.209 4.607 2.111 1.00 0.21 C ATOM 640 C LEU A 41 10.439 4.182 3.356 1.00 0.22 C ATOM 641 O LEU A 41 9.230 3.998 3.326 1.00 0.24 O ATOM 642 CB LEU A 41 12.044 3.433 1.600 1.00 0.21 C ATOM 643 CG LEU A 41 11.234 2.209 1.173 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.411 2.528 -0.063 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.151 1.023 0.918 1.00 1.20 C ATOM 0 H LEU A 41 13.061 5.586 2.261 1.00 0.21 H new ATOM 0 HA LEU A 41 10.508 4.905 1.331 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.640 3.771 0.752 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.742 3.134 2.382 1.00 0.21 H new ATOM 0 HG LEU A 41 10.553 1.943 1.982 1.00 0.58 H new ATOM 0 HD11 LEU A 41 9.839 1.648 -0.356 1.00 0.39 H new ATOM 0 HD12 LEU A 41 9.728 3.348 0.157 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.075 2.817 -0.878 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.556 0.161 0.615 1.00 1.20 H new ATOM 0 HD22 LEU A 41 12.857 1.273 0.126 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.698 0.784 1.830 1.00 1.20 H new ATOM 657 N HIS A 42 11.180 4.047 4.444 1.00 0.27 N ATOM 658 CA HIS A 42 10.653 3.669 5.751 1.00 0.35 C ATOM 659 C HIS A 42 9.507 4.592 6.147 1.00 0.39 C ATOM 660 O HIS A 42 8.433 4.135 6.534 1.00 0.47 O ATOM 661 CB HIS A 42 11.789 3.778 6.777 1.00 0.40 C ATOM 662 CG HIS A 42 11.765 2.756 7.867 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.416 2.930 9.067 1.00 1.01 N ATOM 664 CD2 HIS A 42 11.215 1.526 7.916 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.267 1.851 9.806 1.00 1.19 C ATOM 666 NE2 HIS A 42 11.542 0.978 9.133 1.00 1.15 N ATOM 0 H HIS A 42 12.188 4.200 4.446 1.00 0.27 H new ATOM 0 HA HIS A 42 10.272 2.648 5.715 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.740 3.702 6.251 1.00 0.40 H new ATOM 0 HB3 HIS A 42 11.754 4.769 7.230 1.00 0.40 H new ATOM 0 HD2 HIS A 42 10.626 1.058 7.141 1.00 0.94 H new ATOM 0 HE1 HIS A 42 12.671 1.705 10.797 1.00 1.19 H new ATOM 0 HE2 HIS A 42 11.270 0.051 9.461 1.00 1.15 H new ATOM 675 N ALA A 43 9.746 5.891 6.027 1.00 0.42 N ATOM 676 CA ALA A 43 8.767 6.896 6.406 1.00 0.49 C ATOM 677 C ALA A 43 7.574 6.925 5.454 1.00 0.48 C ATOM 678 O ALA A 43 6.430 6.932 5.896 1.00 0.51 O ATOM 679 CB ALA A 43 9.421 8.267 6.464 1.00 0.56 C ATOM 0 H ALA A 43 10.620 6.274 5.666 1.00 0.42 H new ATOM 0 HA ALA A 43 8.391 6.628 7.393 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.679 9.013 6.749 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.225 8.256 7.200 1.00 0.56 H new ATOM 0 HB3 ALA A 43 9.829 8.517 5.485 1.00 0.56 H new ATOM 685 N CYS A 44 7.841 6.956 4.152 1.00 0.44 N ATOM 686 CA CYS A 44 6.775 7.057 3.153 1.00 0.46 C ATOM 687 C CYS A 44 5.970 5.768 3.020 1.00 0.42 C ATOM 688 O CYS A 44 4.786 5.812 2.711 1.00 0.43 O ATOM 689 CB CYS A 44 7.339 7.480 1.798 1.00 0.47 C ATOM 690 SG CYS A 44 6.180 7.336 0.414 1.00 1.61 S ATOM 0 H CYS A 44 8.782 6.913 3.762 1.00 0.44 H new ATOM 0 HA CYS A 44 6.088 7.826 3.506 1.00 0.46 H new ATOM 0 HB2 CYS A 44 7.674 8.515 1.867 1.00 0.47 H new ATOM 0 HB3 CYS A 44 8.219 6.874 1.581 1.00 0.47 H new ATOM 0 HG CYS A 44 5.086 6.765 0.822 1.00 1.61 H new ATOM 696 N LEU A 45 6.599 4.625 3.249 1.00 0.39 N ATOM 697 CA LEU A 45 5.887 3.355 3.181 1.00 0.38 C ATOM 698 C LEU A 45 5.012 3.196 4.424 1.00 0.36 C ATOM 699 O LEU A 45 3.922 2.622 4.374 1.00 0.35 O ATOM 700 CB LEU A 45 6.875 2.194 3.049 1.00 0.39 C ATOM 701 CG LEU A 45 6.276 0.875 2.564 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.616 1.055 1.206 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.350 -0.197 2.490 1.00 1.87 C ATOM 0 H LEU A 45 7.589 4.549 3.481 1.00 0.39 H new ATOM 0 HA LEU A 45 5.247 3.345 2.299 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.666 2.489 2.360 1.00 0.39 H new ATOM 0 HB3 LEU A 45 7.343 2.026 4.019 1.00 0.39 H new ATOM 0 HG LEU A 45 5.515 0.559 3.278 1.00 0.95 H new ATOM 0 HD11 LEU A 45 5.195 0.105 0.877 1.00 0.69 H new ATOM 0 HD12 LEU A 45 4.821 1.797 1.283 1.00 0.69 H new ATOM 0 HD13 LEU A 45 6.358 1.393 0.483 1.00 0.69 H new ATOM 0 HD21 LEU A 45 6.908 -1.131 2.143 1.00 1.87 H new ATOM 0 HD22 LEU A 45 8.129 0.116 1.795 1.00 1.87 H new ATOM 0 HD23 LEU A 45 7.784 -0.346 3.479 1.00 1.87 H new ATOM 715 N ASN A 46 5.495 3.734 5.537 1.00 0.40 N ATOM 716 CA ASN A 46 4.692 3.841 6.748 1.00 0.45 C ATOM 717 C ASN A 46 3.536 4.811 6.500 1.00 0.43 C ATOM 718 O ASN A 46 2.385 4.525 6.819 1.00 0.42 O ATOM 719 CB ASN A 46 5.576 4.311 7.913 1.00 0.53 C ATOM 720 CG ASN A 46 4.790 4.741 9.139 1.00 0.59 C ATOM 721 OD1 ASN A 46 4.381 5.895 9.254 1.00 1.25 O ATOM 722 ND2 ASN A 46 4.606 3.830 10.082 1.00 1.00 N ATOM 0 H ASN A 46 6.441 4.104 5.626 1.00 0.40 H new ATOM 0 HA ASN A 46 4.276 2.869 7.012 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.254 3.505 8.191 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.193 5.144 7.577 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.111 4.076 10.939 1.00 1.00 H new ATOM 0 HD22 ASN A 46 4.960 2.882 9.951 1.00 1.00 H new ATOM 729 N LYS A 47 3.875 5.960 5.928 1.00 0.49 N ATOM 730 CA LYS A 47 2.904 6.944 5.454 1.00 0.47 C ATOM 731 C LYS A 47 1.870 6.317 4.514 1.00 0.42 C ATOM 732 O LYS A 47 0.709 6.713 4.512 1.00 0.43 O ATOM 733 CB LYS A 47 3.655 8.051 4.712 1.00 0.53 C ATOM 734 CG LYS A 47 2.798 9.217 4.260 1.00 1.02 C ATOM 735 CD LYS A 47 3.510 10.060 3.214 1.00 1.07 C ATOM 736 CE LYS A 47 3.656 9.305 1.901 1.00 1.30 C ATOM 737 NZ LYS A 47 2.349 9.106 1.217 1.00 2.15 N ATOM 0 H LYS A 47 4.844 6.240 5.777 1.00 0.49 H new ATOM 0 HA LYS A 47 2.370 7.344 6.316 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.445 8.430 5.360 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.141 7.617 3.838 1.00 0.53 H new ATOM 0 HG2 LYS A 47 1.860 8.843 3.850 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.545 9.838 5.119 1.00 1.02 H new ATOM 0 HD2 LYS A 47 2.953 10.982 3.046 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.495 10.346 3.583 1.00 1.07 H new ATOM 0 HE2 LYS A 47 4.329 9.853 1.242 1.00 1.30 H new ATOM 0 HE3 LYS A 47 4.116 8.335 2.091 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 2.513 8.775 0.245 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 1.790 8.398 1.735 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 1.829 10.006 1.193 1.00 2.15 H new ATOM 751 N ALA A 48 2.303 5.353 3.707 1.00 0.40 N ATOM 752 CA ALA A 48 1.408 4.650 2.794 1.00 0.38 C ATOM 753 C ALA A 48 0.378 3.851 3.573 1.00 0.36 C ATOM 754 O ALA A 48 -0.785 3.765 3.182 1.00 0.36 O ATOM 755 CB ALA A 48 2.195 3.742 1.861 1.00 0.41 C ATOM 0 H ALA A 48 3.273 5.040 3.667 1.00 0.40 H new ATOM 0 HA ALA A 48 0.886 5.390 2.188 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.508 3.228 1.189 1.00 0.41 H new ATOM 0 HB2 ALA A 48 2.895 4.339 1.277 1.00 0.41 H new ATOM 0 HB3 ALA A 48 2.747 3.007 2.448 1.00 0.41 H new ATOM 761 N LYS A 49 0.806 3.284 4.692 1.00 0.37 N ATOM 762 CA LYS A 49 -0.109 2.583 5.578 1.00 0.41 C ATOM 763 C LYS A 49 -1.009 3.590 6.267 1.00 0.46 C ATOM 764 O LYS A 49 -2.165 3.315 6.563 1.00 0.56 O ATOM 765 CB LYS A 49 0.652 1.797 6.642 1.00 0.41 C ATOM 766 CG LYS A 49 1.639 0.791 6.091 1.00 0.39 C ATOM 767 CD LYS A 49 2.250 -0.025 7.208 1.00 0.42 C ATOM 768 CE LYS A 49 3.189 0.809 8.067 1.00 0.45 C ATOM 769 NZ LYS A 49 3.452 0.174 9.386 1.00 1.03 N ATOM 0 H LYS A 49 1.776 3.296 5.006 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.698 1.887 4.980 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.187 2.499 7.282 1.00 0.41 H new ATOM 0 HB3 LYS A 49 -0.067 1.274 7.273 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.137 0.131 5.384 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.424 1.309 5.540 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.458 -0.439 7.832 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.796 -0.868 6.786 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.132 0.952 7.539 1.00 0.45 H new ATOM 0 HE3 LYS A 49 2.757 1.798 8.221 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.096 0.775 9.939 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 2.556 0.061 9.902 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 3.888 -0.759 9.241 1.00 1.03 H new ATOM 783 N LEU A 50 -0.450 4.760 6.516 1.00 0.44 N ATOM 784 CA LEU A 50 -1.157 5.839 7.178 1.00 0.51 C ATOM 785 C LEU A 50 -2.292 6.381 6.319 1.00 0.44 C ATOM 786 O LEU A 50 -3.422 6.515 6.785 1.00 0.43 O ATOM 787 CB LEU A 50 -0.168 6.950 7.530 1.00 0.62 C ATOM 788 CG LEU A 50 0.698 6.658 8.751 1.00 1.02 C ATOM 789 CD1 LEU A 50 1.482 7.895 9.156 1.00 2.08 C ATOM 790 CD2 LEU A 50 -0.168 6.159 9.901 1.00 0.75 C ATOM 0 H LEU A 50 0.511 4.989 6.263 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.607 5.448 8.091 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.482 7.127 6.673 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.723 7.872 7.705 1.00 0.62 H new ATOM 0 HG LEU A 50 1.413 5.876 8.496 1.00 1.02 H new ATOM 0 HD11 LEU A 50 2.094 7.668 10.029 1.00 2.08 H new ATOM 0 HD12 LEU A 50 2.125 8.204 8.332 1.00 2.08 H new ATOM 0 HD13 LEU A 50 0.790 8.701 9.398 1.00 2.08 H new ATOM 0 HD21 LEU A 50 0.461 5.954 10.767 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.904 6.920 10.159 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.681 5.245 9.600 1.00 0.75 H new ATOM 802 N THR A 51 -1.995 6.675 5.065 1.00 0.41 N ATOM 803 CA THR A 51 -2.988 7.209 4.152 1.00 0.40 C ATOM 804 C THR A 51 -4.102 6.200 3.913 1.00 0.35 C ATOM 805 O THR A 51 -5.282 6.532 3.970 1.00 0.34 O ATOM 806 CB THR A 51 -2.346 7.594 2.804 1.00 0.43 C ATOM 807 OG1 THR A 51 -1.572 6.502 2.289 1.00 0.48 O ATOM 808 CG2 THR A 51 -1.452 8.808 2.964 1.00 0.54 C ATOM 0 H THR A 51 -1.069 6.552 4.655 1.00 0.41 H new ATOM 0 HA THR A 51 -3.410 8.103 4.612 1.00 0.40 H new ATOM 0 HB THR A 51 -3.148 7.831 2.105 1.00 0.43 H new ATOM 0 HG1 THR A 51 -1.172 6.760 1.433 1.00 0.48 H new ATOM 0 HG21 THR A 51 -1.009 9.063 2.001 1.00 0.54 H new ATOM 0 HG22 THR A 51 -2.043 9.650 3.326 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.661 8.585 3.680 1.00 0.54 H new ATOM 816 N VAL A 52 -3.708 4.964 3.657 1.00 0.34 N ATOM 817 CA VAL A 52 -4.648 3.901 3.341 1.00 0.31 C ATOM 818 C VAL A 52 -5.431 3.455 4.568 1.00 0.27 C ATOM 819 O VAL A 52 -6.644 3.255 4.496 1.00 0.28 O ATOM 820 CB VAL A 52 -3.904 2.720 2.683 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.781 1.492 2.544 1.00 0.33 C ATOM 822 CG2 VAL A 52 -3.374 3.145 1.325 1.00 0.43 C ATOM 0 H VAL A 52 -2.731 4.669 3.662 1.00 0.34 H new ATOM 0 HA VAL A 52 -5.378 4.290 2.631 1.00 0.31 H new ATOM 0 HB VAL A 52 -3.075 2.446 3.335 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -4.211 0.689 2.076 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.117 1.171 3.530 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.647 1.731 1.926 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.849 2.310 0.862 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -4.205 3.449 0.689 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -2.687 3.982 1.448 1.00 0.43 H new ATOM 832 N GLY A 53 -4.735 3.314 5.687 1.00 0.27 N ATOM 833 CA GLY A 53 -5.387 2.964 6.927 1.00 0.30 C ATOM 834 C GLY A 53 -6.471 3.955 7.242 1.00 0.27 C ATOM 835 O GLY A 53 -7.590 3.592 7.597 1.00 0.27 O ATOM 0 H GLY A 53 -3.725 3.437 5.755 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.810 1.962 6.853 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.657 2.943 7.736 1.00 0.30 H new ATOM 839 N ARG A 54 -6.133 5.217 7.072 1.00 0.27 N ATOM 840 CA ARG A 54 -7.063 6.293 7.314 1.00 0.27 C ATOM 841 C ARG A 54 -8.079 6.466 6.201 1.00 0.24 C ATOM 842 O ARG A 54 -9.116 7.097 6.396 1.00 0.25 O ATOM 843 CB ARG A 54 -6.312 7.567 7.592 1.00 0.38 C ATOM 844 CG ARG A 54 -5.516 7.444 8.867 1.00 0.89 C ATOM 845 CD ARG A 54 -4.509 8.552 9.004 1.00 1.02 C ATOM 846 NE ARG A 54 -5.103 9.882 8.919 1.00 1.79 N ATOM 847 CZ ARG A 54 -4.480 10.935 8.396 1.00 2.26 C ATOM 848 NH1 ARG A 54 -3.260 10.802 7.890 1.00 2.18 N ATOM 849 NH2 ARG A 54 -5.080 12.117 8.370 1.00 3.18 N ATOM 0 H ARG A 54 -5.210 5.521 6.764 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.646 6.029 8.196 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.645 7.791 6.760 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -7.012 8.399 7.672 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -6.193 7.460 9.721 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -5.003 6.482 8.884 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.995 8.451 9.960 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -3.755 8.447 8.224 1.00 1.02 H new ATOM 0 HE ARG A 54 -6.048 10.012 9.280 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -2.799 9.892 7.902 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -2.783 11.610 7.489 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -6.020 12.220 8.751 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -4.601 12.923 7.969 1.00 3.18 H new ATOM 863 N MET A 55 -7.797 5.916 5.035 1.00 0.23 N ATOM 864 CA MET A 55 -8.775 5.936 3.968 1.00 0.24 C ATOM 865 C MET A 55 -9.866 4.928 4.291 1.00 0.21 C ATOM 866 O MET A 55 -11.040 5.137 3.989 1.00 0.23 O ATOM 867 CB MET A 55 -8.138 5.636 2.613 1.00 0.28 C ATOM 868 CG MET A 55 -8.996 6.118 1.464 1.00 0.34 C ATOM 869 SD MET A 55 -9.251 7.904 1.527 1.00 0.68 S ATOM 870 CE MET A 55 -10.659 8.085 0.443 1.00 0.41 C ATOM 0 H MET A 55 -6.915 5.458 4.806 1.00 0.23 H new ATOM 0 HA MET A 55 -9.204 6.935 3.897 1.00 0.24 H new ATOM 0 HB2 MET A 55 -7.159 6.112 2.559 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.976 4.562 2.519 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.523 5.851 0.519 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.961 5.611 1.492 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.349 8.580 -0.477 1.00 0.41 H new ATOM 0 HE2 MET A 55 -11.065 7.101 0.206 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.424 8.684 0.937 1.00 0.41 H new ATOM 880 N VAL A 56 -9.460 3.839 4.935 1.00 0.20 N ATOM 881 CA VAL A 56 -10.403 2.893 5.509 1.00 0.22 C ATOM 882 C VAL A 56 -11.191 3.584 6.616 1.00 0.21 C ATOM 883 O VAL A 56 -12.395 3.375 6.763 1.00 0.25 O ATOM 884 CB VAL A 56 -9.691 1.642 6.071 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.692 0.660 6.660 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.860 0.970 4.990 1.00 0.26 C ATOM 0 H VAL A 56 -8.480 3.591 5.072 1.00 0.20 H new ATOM 0 HA VAL A 56 -11.076 2.559 4.719 1.00 0.22 H new ATOM 0 HB VAL A 56 -9.025 1.966 6.871 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -10.163 -0.210 7.048 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -11.241 1.141 7.469 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.391 0.344 5.885 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.366 0.091 5.404 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.509 0.668 4.168 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -8.109 1.669 4.622 1.00 0.26 H new ATOM 896 N THR A 57 -10.500 4.436 7.370 1.00 0.19 N ATOM 897 CA THR A 57 -11.128 5.239 8.408 1.00 0.22 C ATOM 898 C THR A 57 -12.183 6.162 7.805 1.00 0.21 C ATOM 899 O THR A 57 -13.272 6.299 8.356 1.00 0.25 O ATOM 900 CB THR A 57 -10.077 6.079 9.162 1.00 0.25 C ATOM 901 OG1 THR A 57 -9.064 5.219 9.698 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.713 6.879 10.290 1.00 0.33 C ATOM 0 H THR A 57 -9.495 4.586 7.277 1.00 0.19 H new ATOM 0 HA THR A 57 -11.608 4.560 9.113 1.00 0.22 H new ATOM 0 HB THR A 57 -9.633 6.779 8.454 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.397 5.756 10.175 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.946 7.460 10.802 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.465 7.553 9.879 1.00 0.33 H new ATOM 0 HG23 THR A 57 -11.185 6.198 10.998 1.00 0.33 H new ATOM 910 N SER A 58 -11.861 6.761 6.662 1.00 0.24 N ATOM 911 CA SER A 58 -12.780 7.658 5.965 1.00 0.28 C ATOM 912 C SER A 58 -14.086 6.944 5.595 1.00 0.26 C ATOM 913 O SER A 58 -15.174 7.490 5.772 1.00 0.32 O ATOM 914 CB SER A 58 -12.108 8.221 4.708 1.00 0.34 C ATOM 915 OG SER A 58 -12.879 9.263 4.132 1.00 1.20 O ATOM 0 H SER A 58 -10.962 6.640 6.195 1.00 0.24 H new ATOM 0 HA SER A 58 -13.029 8.478 6.638 1.00 0.28 H new ATOM 0 HB2 SER A 58 -11.117 8.597 4.961 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.970 7.423 3.979 1.00 0.34 H new ATOM 0 HG SER A 58 -12.424 9.603 3.333 1.00 1.20 H new ATOM 921 N LEU A 59 -13.976 5.727 5.074 1.00 0.23 N ATOM 922 CA LEU A 59 -15.157 4.932 4.738 1.00 0.23 C ATOM 923 C LEU A 59 -15.858 4.428 6.002 1.00 0.23 C ATOM 924 O LEU A 59 -17.074 4.262 6.027 1.00 0.30 O ATOM 925 CB LEU A 59 -14.790 3.745 3.835 1.00 0.29 C ATOM 926 CG LEU A 59 -14.709 4.041 2.325 1.00 0.34 C ATOM 927 CD1 LEU A 59 -13.634 5.073 2.016 1.00 1.39 C ATOM 928 CD2 LEU A 59 -14.439 2.758 1.561 1.00 1.45 C ATOM 0 H LEU A 59 -13.087 5.269 4.875 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.842 5.582 4.194 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.826 3.352 4.160 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.525 2.955 3.991 1.00 0.29 H new ATOM 0 HG LEU A 59 -15.667 4.455 2.010 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -13.605 5.257 0.942 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -13.861 6.003 2.538 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -12.665 4.699 2.346 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -14.383 2.975 0.494 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -13.494 2.328 1.894 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -15.245 2.048 1.745 1.00 1.45 H new ATOM 940 N LEU A 60 -15.082 4.195 7.050 1.00 0.20 N ATOM 941 CA LEU A 60 -15.600 3.598 8.276 1.00 0.23 C ATOM 942 C LEU A 60 -16.278 4.627 9.184 1.00 0.28 C ATOM 943 O LEU A 60 -16.866 4.269 10.203 1.00 0.33 O ATOM 944 CB LEU A 60 -14.466 2.906 9.041 1.00 0.24 C ATOM 945 CG LEU A 60 -14.627 1.398 9.246 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.861 1.096 10.081 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.694 0.682 7.905 1.00 0.59 C ATOM 0 H LEU A 60 -14.086 4.411 7.077 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.355 2.868 7.984 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.532 3.084 8.508 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.371 3.379 10.018 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.755 1.031 9.787 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -15.956 0.018 10.214 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.767 1.575 11.056 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.746 1.478 9.573 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -14.808 -0.389 8.070 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.546 1.055 7.336 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -13.776 0.867 7.347 1.00 0.59 H new ATOM 959 N GLU A 61 -16.209 5.901 8.824 1.00 0.32 N ATOM 960 CA GLU A 61 -16.837 6.940 9.632 1.00 0.42 C ATOM 961 C GLU A 61 -18.137 7.409 8.989 1.00 0.45 C ATOM 962 O GLU A 61 -18.588 8.534 9.210 1.00 0.59 O ATOM 963 CB GLU A 61 -15.884 8.120 9.863 1.00 0.56 C ATOM 964 CG GLU A 61 -15.156 8.579 8.614 1.00 0.77 C ATOM 965 CD GLU A 61 -14.366 9.852 8.828 1.00 1.74 C ATOM 966 OE1 GLU A 61 -13.248 9.781 9.384 1.00 2.36 O ATOM 967 OE2 GLU A 61 -14.850 10.934 8.439 1.00 2.46 O ATOM 0 H GLU A 61 -15.731 6.239 7.989 1.00 0.32 H new ATOM 0 HA GLU A 61 -17.072 6.510 10.606 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -16.451 8.958 10.269 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -15.149 7.838 10.617 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -14.481 7.790 8.282 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -15.880 8.737 7.815 1.00 0.77 H new ATOM 974 N LYS A 62 -18.743 6.530 8.203 1.00 0.46 N ATOM 975 CA LYS A 62 -20.000 6.832 7.537 1.00 0.53 C ATOM 976 C LYS A 62 -20.838 5.562 7.384 1.00 0.43 C ATOM 977 O LYS A 62 -20.422 4.606 6.735 1.00 0.41 O ATOM 978 CB LYS A 62 -19.738 7.500 6.189 1.00 0.70 C ATOM 979 CG LYS A 62 -18.476 7.018 5.496 1.00 0.62 C ATOM 980 CD LYS A 62 -18.236 7.792 4.218 1.00 0.76 C ATOM 981 CE LYS A 62 -17.893 9.244 4.500 1.00 0.72 C ATOM 982 NZ LYS A 62 -17.967 10.072 3.271 1.00 0.97 N ATOM 0 H LYS A 62 -18.380 5.596 8.011 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.569 7.532 8.149 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.591 7.321 5.534 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -19.670 8.578 6.336 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.622 7.135 6.163 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -18.562 5.955 5.272 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -17.424 7.328 3.658 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -19.125 7.743 3.590 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -18.578 9.641 5.249 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.890 9.306 4.921 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -17.810 11.071 3.515 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -17.237 9.761 2.599 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -18.906 9.965 2.837 1.00 0.97 H new ATOM 996 N PRO A 63 -22.049 5.566 7.972 1.00 0.46 N ATOM 997 CA PRO A 63 -22.857 4.352 8.185 1.00 0.48 C ATOM 998 C PRO A 63 -23.295 3.677 6.894 1.00 0.42 C ATOM 999 O PRO A 63 -23.252 2.452 6.779 1.00 0.42 O ATOM 1000 CB PRO A 63 -24.083 4.856 8.958 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.712 6.211 9.457 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.748 6.768 8.455 1.00 0.59 C ATOM 0 HA PRO A 63 -22.279 3.592 8.710 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.961 4.902 8.314 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -24.328 4.188 9.783 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.592 6.848 9.548 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -23.257 6.152 10.446 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -23.261 7.290 7.647 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -22.060 7.481 8.909 1.00 0.59 H new ATOM 1010 N SER A 64 -23.718 4.480 5.932 1.00 0.43 N ATOM 1011 CA SER A 64 -24.185 3.970 4.654 1.00 0.46 C ATOM 1012 C SER A 64 -23.078 3.207 3.936 1.00 0.42 C ATOM 1013 O SER A 64 -23.284 2.095 3.444 1.00 0.43 O ATOM 1014 CB SER A 64 -24.669 5.139 3.807 1.00 0.57 C ATOM 1015 OG SER A 64 -23.754 6.221 3.884 1.00 1.46 O ATOM 0 H SER A 64 -23.747 5.496 6.014 1.00 0.43 H new ATOM 0 HA SER A 64 -25.007 3.274 4.821 1.00 0.46 H new ATOM 0 HB2 SER A 64 -24.781 4.823 2.770 1.00 0.57 H new ATOM 0 HB3 SER A 64 -25.652 5.461 4.150 1.00 0.57 H new ATOM 0 HG SER A 64 -24.078 6.964 3.333 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.905 3.820 3.884 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.729 3.195 3.300 1.00 0.39 C ATOM 1023 C VAL A 65 -20.372 1.904 4.027 1.00 0.34 C ATOM 1024 O VAL A 65 -20.144 0.874 3.389 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.527 4.156 3.331 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.264 3.473 2.840 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.824 5.388 2.496 1.00 0.47 C ATOM 0 H VAL A 65 -21.742 4.760 4.244 1.00 0.40 H new ATOM 0 HA VAL A 65 -20.967 2.956 2.263 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.360 4.460 4.364 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.433 4.177 2.874 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -18.041 2.618 3.478 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.410 3.132 1.815 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -18.968 6.062 2.524 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -20.018 5.091 1.465 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.700 5.897 2.898 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.351 1.958 5.356 1.00 0.34 N ATOM 1038 CA VAL A 66 -20.039 0.785 6.164 1.00 0.31 C ATOM 1039 C VAL A 66 -21.009 -0.350 5.860 1.00 0.32 C ATOM 1040 O VAL A 66 -20.592 -1.482 5.604 1.00 0.33 O ATOM 1041 CB VAL A 66 -20.080 1.102 7.677 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.840 -0.156 8.502 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -19.054 2.165 8.030 1.00 0.34 C ATOM 0 H VAL A 66 -20.546 2.802 5.895 1.00 0.34 H new ATOM 0 HA VAL A 66 -19.025 0.479 5.904 1.00 0.31 H new ATOM 0 HB VAL A 66 -21.073 1.484 7.913 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.874 0.093 9.563 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.612 -0.891 8.277 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.862 -0.571 8.257 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -19.099 2.374 9.099 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -18.057 1.808 7.772 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -19.269 3.077 7.473 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.298 -0.035 5.855 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.323 -1.029 5.574 1.00 0.36 C ATOM 1055 C ALA A 67 -23.175 -1.601 4.173 1.00 0.32 C ATOM 1056 O ALA A 67 -23.458 -2.772 3.950 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.709 -0.446 5.748 1.00 0.41 C ATOM 0 H ALA A 67 -22.657 0.901 6.042 1.00 0.34 H new ATOM 0 HA ALA A 67 -23.190 -1.839 6.292 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.455 -1.211 5.532 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.832 -0.099 6.774 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.840 0.392 5.064 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.733 -0.782 3.225 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.522 -1.263 1.869 1.00 0.27 C ATOM 1065 C TYR A 68 -21.375 -2.259 1.816 1.00 0.23 C ATOM 1066 O TYR A 68 -21.380 -3.194 1.014 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.288 -0.148 0.858 1.00 0.29 C ATOM 1068 CG TYR A 68 -22.315 -0.706 -0.543 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -23.388 -1.488 -0.960 1.00 1.45 C ATOM 1070 CD2 TYR A 68 -21.273 -0.497 -1.430 1.00 1.46 C ATOM 1071 CE1 TYR A 68 -23.418 -2.048 -2.219 1.00 1.86 C ATOM 1072 CE2 TYR A 68 -21.299 -1.049 -2.696 1.00 1.88 C ATOM 1073 CZ TYR A 68 -22.374 -1.826 -3.085 1.00 1.81 C ATOM 1074 OH TYR A 68 -22.408 -2.377 -4.342 1.00 2.35 O ATOM 0 H TYR A 68 -22.517 0.204 3.369 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.450 -1.759 1.585 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -23.054 0.619 0.967 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -21.328 0.331 1.049 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.213 -1.659 -0.284 1.00 1.45 H new ATOM 0 HD2 TYR A 68 -20.429 0.105 -1.128 1.00 1.46 H new ATOM 0 HE1 TYR A 68 -24.256 -2.657 -2.523 1.00 1.86 H new ATOM 0 HE2 TYR A 68 -20.482 -0.874 -3.380 1.00 1.88 H new ATOM 0 HH TYR A 68 -23.097 -3.073 -4.376 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.362 -2.020 2.620 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.212 -2.900 2.673 1.00 0.19 C ATOM 1086 C LEU A 69 -19.622 -4.302 3.123 1.00 0.24 C ATOM 1087 O LEU A 69 -19.251 -5.291 2.495 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.162 -2.297 3.594 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.736 -0.887 3.200 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.976 -0.210 4.326 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.892 -0.912 1.941 1.00 0.29 C ATOM 0 H LEU A 69 -20.310 -1.219 3.250 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.783 -3.000 1.676 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.552 -2.278 4.612 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.284 -2.943 3.601 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.640 -0.311 3.003 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.685 0.794 4.016 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.613 -0.147 5.209 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -16.084 -0.790 4.563 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.600 0.105 1.679 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.999 -1.513 2.113 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.469 -1.345 1.124 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.410 -4.393 4.184 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.911 -5.690 4.629 1.00 0.43 C ATOM 1105 C GLU A 70 -22.029 -6.177 3.728 1.00 0.49 C ATOM 1106 O GLU A 70 -22.216 -7.378 3.528 1.00 0.60 O ATOM 1107 CB GLU A 70 -21.386 -5.638 6.074 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.766 -4.253 6.557 1.00 0.49 C ATOM 1109 CD GLU A 70 -22.139 -4.235 8.025 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.225 -4.170 8.873 1.00 1.26 O ATOM 1111 OE2 GLU A 70 -23.345 -4.294 8.342 1.00 1.25 O ATOM 0 H GLU A 70 -20.714 -3.599 4.747 1.00 0.31 H new ATOM 0 HA GLU A 70 -20.082 -6.396 4.570 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -22.247 -6.297 6.185 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -20.599 -6.031 6.717 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.932 -3.571 6.388 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.605 -3.883 5.967 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.755 -5.228 3.181 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.824 -5.538 2.273 1.00 0.57 C ATOM 1120 C GLY A 71 -25.149 -5.646 2.986 1.00 0.69 C ATOM 1121 O GLY A 71 -25.967 -6.515 2.686 1.00 0.92 O ATOM 0 H GLY A 71 -22.620 -4.232 3.353 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -23.885 -4.766 1.506 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.608 -6.477 1.763 1.00 0.57 H new ATOM 1125 N LYS A 72 -25.361 -4.746 3.923 1.00 0.67 N ATOM 1126 CA LYS A 72 -26.498 -4.814 4.813 1.00 0.86 C ATOM 1127 C LYS A 72 -27.438 -3.636 4.585 1.00 0.88 C ATOM 1128 O LYS A 72 -27.409 -2.680 5.384 1.00 1.46 O ATOM 1129 CB LYS A 72 -25.977 -4.827 6.242 1.00 1.21 C ATOM 1130 CG LYS A 72 -25.039 -5.991 6.513 1.00 1.17 C ATOM 1131 CD LYS A 72 -25.691 -7.031 7.388 1.00 1.47 C ATOM 1132 CE LYS A 72 -25.823 -6.501 8.796 1.00 2.02 C ATOM 1133 NZ LYS A 72 -24.513 -6.405 9.485 1.00 2.81 N ATOM 1134 OXT LYS A 72 -28.196 -3.668 3.595 1.00 1.29 O ATOM 0 H LYS A 72 -24.749 -3.947 4.088 1.00 0.67 H new ATOM 0 HA LYS A 72 -27.071 -5.721 4.618 1.00 0.86 H new ATOM 0 HB2 LYS A 72 -25.456 -3.891 6.443 1.00 1.21 H new ATOM 0 HB3 LYS A 72 -26.820 -4.877 6.931 1.00 1.21 H new ATOM 0 HG2 LYS A 72 -24.738 -6.445 5.569 1.00 1.17 H new ATOM 0 HG3 LYS A 72 -24.132 -5.625 6.994 1.00 1.17 H new ATOM 0 HD2 LYS A 72 -26.673 -7.289 6.993 1.00 1.47 H new ATOM 0 HD3 LYS A 72 -25.097 -7.945 7.387 1.00 1.47 H new ATOM 0 HE2 LYS A 72 -26.290 -5.517 8.769 1.00 2.02 H new ATOM 0 HE3 LYS A 72 -26.485 -7.152 9.367 1.00 2.02 H new ATOM 0 HZ1 LYS A 72 -24.657 -6.456 10.514 1.00 2.81 H new ATOM 0 HZ2 LYS A 72 -23.903 -7.191 9.182 1.00 2.81 H new ATOM 0 HZ3 LYS A 72 -24.059 -5.501 9.244 1.00 2.81 H new TER 1148 LYS A 72 ATOM 1149 N GLY B -1 15.075 -22.124 -0.526 1.00 4.96 N ATOM 1150 CA GLY B -1 15.445 -22.033 -1.957 1.00 4.18 C ATOM 1151 C GLY B -1 16.215 -20.767 -2.271 1.00 3.25 C ATOM 1152 O GLY B -1 17.149 -20.402 -1.551 1.00 3.46 O ATOM 0 H1 GLY B -1 14.550 -23.006 -0.359 1.00 4.96 H new ATOM 0 H2 GLY B -1 15.937 -22.118 0.056 1.00 4.96 H new ATOM 0 H3 GLY B -1 14.478 -21.312 -0.269 1.00 4.96 H new ATOM 0 HA2 GLY B -1 16.047 -22.899 -2.230 1.00 4.18 H new ATOM 0 HA3 GLY B -1 14.542 -22.067 -2.567 1.00 4.18 H new ATOM 1158 N ALA B 0 15.828 -20.095 -3.344 1.00 2.64 N ATOM 1159 CA ALA B 0 16.467 -18.851 -3.737 1.00 1.94 C ATOM 1160 C ALA B 0 15.811 -17.679 -3.022 1.00 1.54 C ATOM 1161 O ALA B 0 14.651 -17.356 -3.278 1.00 1.85 O ATOM 1162 CB ALA B 0 16.398 -18.668 -5.248 1.00 2.14 C ATOM 0 H ALA B 0 15.071 -20.393 -3.960 1.00 2.64 H new ATOM 0 HA ALA B 0 17.518 -18.890 -3.449 1.00 1.94 H new ATOM 0 HB1 ALA B 0 16.882 -17.731 -5.523 1.00 2.14 H new ATOM 0 HB2 ALA B 0 16.908 -19.497 -5.739 1.00 2.14 H new ATOM 0 HB3 ALA B 0 15.355 -18.645 -5.564 1.00 2.14 H new ATOM 1168 N MET B 1 16.549 -17.053 -2.119 1.00 1.29 N ATOM 1169 CA MET B 1 15.995 -15.983 -1.302 1.00 1.03 C ATOM 1170 C MET B 1 16.187 -14.632 -1.978 1.00 0.87 C ATOM 1171 O MET B 1 17.223 -14.366 -2.586 1.00 0.92 O ATOM 1172 CB MET B 1 16.635 -15.971 0.088 1.00 1.33 C ATOM 1173 CG MET B 1 16.584 -17.316 0.792 1.00 2.01 C ATOM 1174 SD MET B 1 17.349 -17.282 2.426 1.00 2.32 S ATOM 1175 CE MET B 1 17.116 -18.979 2.950 1.00 2.92 C ATOM 0 H MET B 1 17.529 -17.265 -1.933 1.00 1.29 H new ATOM 0 HA MET B 1 14.927 -16.168 -1.190 1.00 1.03 H new ATOM 0 HB2 MET B 1 17.675 -15.657 -0.003 1.00 1.33 H new ATOM 0 HB3 MET B 1 16.130 -15.228 0.705 1.00 1.33 H new ATOM 0 HG2 MET B 1 15.545 -17.630 0.889 1.00 2.01 H new ATOM 0 HG3 MET B 1 17.087 -18.062 0.176 1.00 2.01 H new ATOM 0 HE1 MET B 1 17.539 -19.114 3.946 1.00 2.92 H new ATOM 0 HE2 MET B 1 16.051 -19.210 2.974 1.00 2.92 H new ATOM 0 HE3 MET B 1 17.617 -19.648 2.250 1.00 2.92 H new ATOM 1185 N PRO B 2 15.166 -13.776 -1.883 1.00 0.76 N ATOM 1186 CA PRO B 2 15.168 -12.443 -2.492 1.00 0.64 C ATOM 1187 C PRO B 2 16.115 -11.474 -1.787 1.00 0.58 C ATOM 1188 O PRO B 2 16.227 -11.489 -0.559 1.00 0.64 O ATOM 1189 CB PRO B 2 13.719 -11.987 -2.317 1.00 0.69 C ATOM 1190 CG PRO B 2 13.241 -12.709 -1.107 1.00 0.80 C ATOM 1191 CD PRO B 2 13.930 -14.042 -1.133 1.00 0.84 C ATOM 0 HA PRO B 2 15.511 -12.467 -3.526 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.657 -10.907 -2.184 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.117 -12.236 -3.191 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.487 -12.158 -0.199 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.158 -12.827 -1.124 1.00 0.80 H new ATOM 0 HD2 PRO B 2 14.141 -14.404 -0.127 1.00 0.84 H new ATOM 0 HD3 PRO B 2 13.319 -14.800 -1.623 1.00 0.84 H new ATOM 1199 N SER B 3 16.798 -10.639 -2.560 1.00 0.51 N ATOM 1200 CA SER B 3 17.623 -9.585 -1.983 1.00 0.47 C ATOM 1201 C SER B 3 16.782 -8.345 -1.702 1.00 0.40 C ATOM 1202 O SER B 3 15.601 -8.305 -2.043 1.00 0.37 O ATOM 1203 CB SER B 3 18.786 -9.226 -2.911 1.00 0.46 C ATOM 1204 OG SER B 3 19.616 -10.351 -3.143 1.00 0.59 O ATOM 0 H SER B 3 16.798 -10.670 -3.580 1.00 0.51 H new ATOM 0 HA SER B 3 18.034 -9.958 -1.045 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.398 -8.854 -3.859 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.373 -8.421 -2.469 1.00 0.46 H new ATOM 0 HG SER B 3 20.351 -10.098 -3.740 1.00 0.59 H new ATOM 1210 N LYS B 4 17.387 -7.340 -1.085 1.00 0.41 N ATOM 1211 CA LYS B 4 16.681 -6.109 -0.732 1.00 0.41 C ATOM 1212 C LYS B 4 15.982 -5.476 -1.942 1.00 0.29 C ATOM 1213 O LYS B 4 14.899 -4.910 -1.811 1.00 0.27 O ATOM 1214 CB LYS B 4 17.666 -5.118 -0.107 1.00 0.54 C ATOM 1215 CG LYS B 4 18.294 -5.624 1.182 1.00 0.84 C ATOM 1216 CD LYS B 4 19.477 -4.772 1.638 1.00 0.95 C ATOM 1217 CE LYS B 4 19.091 -3.316 1.861 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.143 -2.521 0.605 1.00 1.79 N ATOM 0 H LYS B 4 18.371 -7.350 -0.816 1.00 0.41 H new ATOM 0 HA LYS B 4 15.904 -6.362 -0.011 1.00 0.41 H new ATOM 0 HB2 LYS B 4 18.456 -4.899 -0.826 1.00 0.54 H new ATOM 0 HB3 LYS B 4 17.148 -4.180 0.093 1.00 0.54 H new ATOM 0 HG2 LYS B 4 17.538 -5.639 1.968 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.626 -6.652 1.040 1.00 0.84 H new ATOM 0 HD2 LYS B 4 19.883 -5.183 2.562 1.00 0.95 H new ATOM 0 HD3 LYS B 4 20.269 -4.825 0.891 1.00 0.95 H new ATOM 0 HE2 LYS B 4 18.085 -3.269 2.277 1.00 0.62 H new ATOM 0 HE3 LYS B 4 19.762 -2.873 2.597 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 19.363 -1.530 0.830 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 19.880 -2.906 -0.019 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 18.222 -2.571 0.124 1.00 1.79 H new ATOM 1232 N LEU B 5 16.599 -5.580 -3.115 1.00 0.26 N ATOM 1233 CA LEU B 5 16.032 -5.004 -4.329 1.00 0.21 C ATOM 1234 C LEU B 5 14.849 -5.811 -4.822 1.00 0.18 C ATOM 1235 O LEU B 5 13.881 -5.249 -5.322 1.00 0.17 O ATOM 1236 CB LEU B 5 17.105 -4.854 -5.409 1.00 0.22 C ATOM 1237 CG LEU B 5 16.627 -4.496 -6.813 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.632 -3.567 -7.471 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.457 -5.749 -7.657 1.00 0.32 C ATOM 0 H LEU B 5 17.490 -6.057 -3.250 1.00 0.26 H new ATOM 0 HA LEU B 5 15.661 -4.007 -4.090 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.808 -4.087 -5.084 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.660 -5.790 -5.468 1.00 0.22 H new ATOM 0 HG LEU B 5 15.661 -3.996 -6.737 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.289 -3.312 -8.474 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.729 -2.657 -6.878 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.600 -4.064 -7.534 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.116 -5.472 -8.654 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.412 -6.270 -7.732 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.722 -6.405 -7.191 1.00 0.32 H new ATOM 1251 N ALA B 6 14.924 -7.122 -4.685 1.00 0.22 N ATOM 1252 CA ALA B 6 13.770 -7.958 -4.949 1.00 0.26 C ATOM 1253 C ALA B 6 12.584 -7.471 -4.124 1.00 0.24 C ATOM 1254 O ALA B 6 11.467 -7.390 -4.625 1.00 0.27 O ATOM 1255 CB ALA B 6 14.081 -9.412 -4.644 1.00 0.35 C ATOM 0 H ALA B 6 15.762 -7.626 -4.396 1.00 0.22 H new ATOM 0 HA ALA B 6 13.515 -7.887 -6.006 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.202 -10.023 -4.849 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.909 -9.746 -5.270 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.356 -9.513 -3.594 1.00 0.35 H new ATOM 1261 N LEU B 7 12.848 -7.106 -2.869 1.00 0.22 N ATOM 1262 CA LEU B 7 11.809 -6.577 -1.990 1.00 0.22 C ATOM 1263 C LEU B 7 11.282 -5.228 -2.477 1.00 0.18 C ATOM 1264 O LEU B 7 10.083 -5.061 -2.671 1.00 0.19 O ATOM 1265 CB LEU B 7 12.350 -6.406 -0.569 1.00 0.24 C ATOM 1266 CG LEU B 7 12.276 -7.634 0.340 1.00 0.29 C ATOM 1267 CD1 LEU B 7 13.094 -8.789 -0.217 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.754 -7.265 1.733 1.00 0.32 C ATOM 0 H LEU B 7 13.772 -7.167 -2.440 1.00 0.22 H new ATOM 0 HA LEU B 7 10.990 -7.296 -1.999 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.392 -6.093 -0.636 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.803 -5.594 -0.091 1.00 0.24 H new ATOM 0 HG LEU B 7 11.238 -7.964 0.389 1.00 0.29 H new ATOM 0 HD11 LEU B 7 13.019 -9.645 0.454 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.712 -9.064 -1.200 1.00 0.31 H new ATOM 0 HD13 LEU B 7 14.138 -8.487 -0.304 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.701 -8.141 2.380 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.784 -6.913 1.683 1.00 0.32 H new ATOM 0 HD23 LEU B 7 12.120 -6.476 2.138 1.00 0.32 H new ATOM 1280 N ILE B 8 12.182 -4.270 -2.677 1.00 0.16 N ATOM 1281 CA ILE B 8 11.781 -2.932 -3.115 1.00 0.15 C ATOM 1282 C ILE B 8 11.061 -2.961 -4.466 1.00 0.16 C ATOM 1283 O ILE B 8 10.146 -2.174 -4.698 1.00 0.18 O ATOM 1284 CB ILE B 8 12.970 -1.929 -3.134 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.159 -2.472 -3.910 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.384 -1.559 -1.718 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.178 -2.039 -5.358 1.00 0.23 C ATOM 0 H ILE B 8 13.186 -4.391 -2.545 1.00 0.16 H new ATOM 0 HA ILE B 8 11.071 -2.572 -2.371 1.00 0.15 H new ATOM 0 HB ILE B 8 12.626 -1.030 -3.646 1.00 0.16 H new ATOM 0 HG12 ILE B 8 15.079 -2.143 -3.428 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.147 -3.561 -3.864 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.217 -0.857 -1.754 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.542 -1.097 -1.202 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.690 -2.457 -1.182 1.00 0.16 H new ATOM 0 HD11 ILE B 8 15.052 -2.462 -5.853 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.274 -2.391 -5.855 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.221 -0.951 -5.412 1.00 0.23 H new ATOM 1299 N GLN B 9 11.461 -3.870 -5.352 1.00 0.16 N ATOM 1300 CA GLN B 9 10.797 -4.004 -6.645 1.00 0.20 C ATOM 1301 C GLN B 9 9.439 -4.697 -6.512 1.00 0.22 C ATOM 1302 O GLN B 9 8.507 -4.384 -7.250 1.00 0.25 O ATOM 1303 CB GLN B 9 11.664 -4.772 -7.646 1.00 0.22 C ATOM 1304 CG GLN B 9 12.925 -4.032 -8.067 1.00 0.27 C ATOM 1305 CD GLN B 9 13.559 -4.632 -9.307 1.00 0.99 C ATOM 1306 OE1 GLN B 9 13.485 -5.839 -9.537 1.00 1.94 O ATOM 1307 NE2 GLN B 9 14.158 -3.791 -10.132 1.00 1.38 N ATOM 0 H GLN B 9 12.234 -4.518 -5.200 1.00 0.16 H new ATOM 0 HA GLN B 9 10.640 -2.992 -7.019 1.00 0.20 H new ATOM 0 HB2 GLN B 9 11.946 -5.729 -7.208 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.070 -4.990 -8.533 1.00 0.22 H new ATOM 0 HG2 GLN B 9 12.684 -2.986 -8.255 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.645 -4.051 -7.249 1.00 0.27 H new ATOM 0 HE21 GLN B 9 14.199 -2.797 -9.906 1.00 1.38 H new ATOM 0 HE22 GLN B 9 14.580 -4.136 -10.994 1.00 1.38 H new ATOM 1316 N GLU B 10 9.338 -5.657 -5.595 1.00 0.23 N ATOM 1317 CA GLU B 10 8.091 -6.397 -5.397 1.00 0.27 C ATOM 1318 C GLU B 10 7.081 -5.612 -4.572 1.00 0.25 C ATOM 1319 O GLU B 10 5.903 -5.947 -4.583 1.00 0.28 O ATOM 1320 CB GLU B 10 8.332 -7.771 -4.760 1.00 0.31 C ATOM 1321 CG GLU B 10 8.709 -7.707 -3.292 1.00 0.31 C ATOM 1322 CD GLU B 10 8.843 -9.074 -2.662 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.804 -9.664 -2.309 1.00 1.09 O ATOM 1324 OE2 GLU B 10 9.977 -9.565 -2.514 1.00 1.23 O ATOM 0 H GLU B 10 10.100 -5.941 -4.979 1.00 0.23 H new ATOM 0 HA GLU B 10 7.673 -6.549 -6.392 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.431 -8.374 -4.868 1.00 0.31 H new ATOM 0 HB3 GLU B 10 9.125 -8.281 -5.307 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.651 -7.169 -3.187 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.954 -7.136 -2.752 1.00 0.31 H new ATOM 1331 N LEU B 11 7.544 -4.621 -3.813 1.00 0.22 N ATOM 1332 CA LEU B 11 6.639 -3.774 -3.027 1.00 0.21 C ATOM 1333 C LEU B 11 5.438 -3.305 -3.862 1.00 0.22 C ATOM 1334 O LEU B 11 4.301 -3.407 -3.403 1.00 0.21 O ATOM 1335 CB LEU B 11 7.375 -2.564 -2.436 1.00 0.21 C ATOM 1336 CG LEU B 11 8.489 -2.891 -1.444 1.00 0.19 C ATOM 1337 CD1 LEU B 11 9.061 -1.615 -0.856 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.979 -3.807 -0.341 1.00 0.19 C ATOM 0 H LEU B 11 8.532 -4.383 -3.723 1.00 0.22 H new ATOM 0 HA LEU B 11 6.267 -4.386 -2.205 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.801 -1.984 -3.255 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.646 -1.925 -1.938 1.00 0.21 H new ATOM 0 HG LEU B 11 9.282 -3.414 -1.978 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.854 -1.863 -0.151 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.467 -0.996 -1.656 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.273 -1.068 -0.338 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.790 -4.026 0.354 1.00 0.19 H new ATOM 0 HD22 LEU B 11 7.166 -3.315 0.194 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.615 -4.736 -0.779 1.00 0.19 H new ATOM 1350 N PRO B 12 5.658 -2.780 -5.092 1.00 0.23 N ATOM 1351 CA PRO B 12 4.563 -2.473 -6.014 1.00 0.26 C ATOM 1352 C PRO B 12 3.600 -3.643 -6.204 1.00 0.27 C ATOM 1353 O PRO B 12 2.389 -3.462 -6.159 1.00 0.29 O ATOM 1354 CB PRO B 12 5.280 -2.148 -7.325 1.00 0.32 C ATOM 1355 CG PRO B 12 6.603 -1.621 -6.902 1.00 0.29 C ATOM 1356 CD PRO B 12 6.965 -2.373 -5.652 1.00 0.24 C ATOM 0 HA PRO B 12 3.939 -1.661 -5.640 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.387 -3.035 -7.950 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.727 -1.412 -7.908 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.351 -1.773 -7.680 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.554 -0.549 -6.712 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.592 -3.237 -5.873 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.521 -1.746 -4.955 1.00 0.24 H new ATOM 1364 N ASP B 13 4.139 -4.844 -6.382 1.00 0.27 N ATOM 1365 CA ASP B 13 3.316 -6.034 -6.592 1.00 0.29 C ATOM 1366 C ASP B 13 2.515 -6.348 -5.335 1.00 0.26 C ATOM 1367 O ASP B 13 1.316 -6.608 -5.394 1.00 0.25 O ATOM 1368 CB ASP B 13 4.190 -7.242 -6.949 1.00 0.35 C ATOM 1369 CG ASP B 13 4.956 -7.061 -8.243 1.00 1.17 C ATOM 1370 OD1 ASP B 13 4.409 -7.396 -9.313 1.00 1.70 O ATOM 1371 OD2 ASP B 13 6.118 -6.604 -8.196 1.00 2.01 O ATOM 0 H ASP B 13 5.143 -5.022 -6.385 1.00 0.27 H new ATOM 0 HA ASP B 13 2.634 -5.832 -7.418 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.896 -7.424 -6.139 1.00 0.35 H new ATOM 0 HB3 ASP B 13 3.560 -8.128 -7.028 1.00 0.35 H new ATOM 1376 N ARG B 14 3.204 -6.318 -4.203 1.00 0.27 N ATOM 1377 CA ARG B 14 2.576 -6.525 -2.901 1.00 0.27 C ATOM 1378 C ARG B 14 1.443 -5.542 -2.677 1.00 0.24 C ATOM 1379 O ARG B 14 0.390 -5.907 -2.172 1.00 0.25 O ATOM 1380 CB ARG B 14 3.593 -6.382 -1.773 1.00 0.31 C ATOM 1381 CG ARG B 14 4.491 -7.586 -1.608 1.00 0.42 C ATOM 1382 CD ARG B 14 5.529 -7.358 -0.521 1.00 0.37 C ATOM 1383 NE ARG B 14 6.414 -8.510 -0.376 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.371 -9.379 0.632 1.00 0.60 C ATOM 1385 NH1 ARG B 14 5.501 -9.230 1.623 1.00 1.20 N ATOM 1386 NH2 ARG B 14 7.215 -10.400 0.641 1.00 1.04 N ATOM 0 H ARG B 14 4.209 -6.151 -4.158 1.00 0.27 H new ATOM 0 HA ARG B 14 2.175 -7.539 -2.896 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.210 -5.503 -1.961 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.062 -6.205 -0.838 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.889 -8.460 -1.361 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.992 -7.801 -2.552 1.00 0.42 H new ATOM 0 HD2 ARG B 14 6.119 -6.473 -0.759 1.00 0.37 H new ATOM 0 HD3 ARG B 14 5.028 -7.161 0.427 1.00 0.37 H new ATOM 0 HE ARG B 14 7.117 -8.660 -1.100 1.00 0.86 H new ATOM 0 HH11 ARG B 14 4.854 -8.442 1.619 1.00 1.20 H new ATOM 0 HH12 ARG B 14 5.480 -9.904 2.389 1.00 1.20 H new ATOM 0 HH21 ARG B 14 7.887 -10.513 -0.118 1.00 1.04 H new ATOM 0 HH22 ARG B 14 7.193 -11.073 1.407 1.00 1.04 H new ATOM 1400 N ILE B 15 1.666 -4.299 -3.055 1.00 0.22 N ATOM 1401 CA ILE B 15 0.671 -3.260 -2.871 1.00 0.22 C ATOM 1402 C ILE B 15 -0.461 -3.401 -3.893 1.00 0.21 C ATOM 1403 O ILE B 15 -1.616 -3.088 -3.601 1.00 0.21 O ATOM 1404 CB ILE B 15 1.331 -1.858 -2.913 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.999 -1.079 -1.635 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.931 -1.072 -4.154 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.433 -0.599 -1.548 1.00 0.29 C ATOM 0 H ILE B 15 2.531 -3.983 -3.493 1.00 0.22 H new ATOM 0 HA ILE B 15 0.223 -3.375 -1.884 1.00 0.22 H new ATOM 0 HB ILE B 15 2.410 -2.001 -2.967 1.00 0.23 H new ATOM 0 HG12 ILE B 15 1.210 -1.712 -0.773 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.663 -0.217 -1.567 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.418 -0.097 -4.140 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.239 -1.618 -5.046 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.151 -0.938 -4.167 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -0.579 -0.058 -0.613 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.646 0.063 -2.387 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.106 -1.455 -1.581 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.133 -3.900 -5.080 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.152 -4.256 -6.058 1.00 0.24 C ATOM 1421 C GLN B 16 -2.040 -5.345 -5.479 1.00 0.23 C ATOM 1422 O GLN B 16 -3.252 -5.317 -5.631 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.523 -4.740 -7.366 1.00 0.29 C ATOM 1424 CG GLN B 16 0.145 -3.638 -8.171 1.00 0.92 C ATOM 1425 CD GLN B 16 0.866 -4.173 -9.390 1.00 1.21 C ATOM 1426 OE1 GLN B 16 2.050 -4.506 -9.334 1.00 1.80 O ATOM 1427 NE2 GLN B 16 0.158 -4.261 -10.504 1.00 1.82 N ATOM 0 H GLN B 16 0.826 -4.066 -5.386 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.745 -3.369 -6.280 1.00 0.24 H new ATOM 0 HB2 GLN B 16 0.215 -5.510 -7.140 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -1.294 -5.207 -7.978 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -0.607 -2.914 -8.485 1.00 0.92 H new ATOM 0 HG3 GLN B 16 0.854 -3.106 -7.536 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -0.821 -3.975 -10.510 1.00 1.82 H new ATOM 0 HE22 GLN B 16 0.591 -4.615 -11.357 1.00 1.82 H new ATOM 1436 N THR B 17 -1.416 -6.286 -4.788 1.00 0.24 N ATOM 1437 CA THR B 17 -2.134 -7.370 -4.135 1.00 0.26 C ATOM 1438 C THR B 17 -2.852 -6.876 -2.879 1.00 0.24 C ATOM 1439 O THR B 17 -3.868 -7.436 -2.461 1.00 0.34 O ATOM 1440 CB THR B 17 -1.163 -8.513 -3.776 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.443 -8.932 -4.943 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.889 -9.707 -3.178 1.00 0.43 C ATOM 0 H THR B 17 -0.404 -6.321 -4.664 1.00 0.24 H new ATOM 0 HA THR B 17 -2.885 -7.746 -4.831 1.00 0.26 H new ATOM 0 HB THR B 17 -0.470 -8.128 -3.028 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.190 -8.232 -5.206 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.168 -10.489 -2.940 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.406 -9.400 -2.269 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.614 -10.089 -3.896 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.337 -5.805 -2.304 1.00 0.20 N ATOM 1451 CA ALA B 18 -2.926 -5.219 -1.120 1.00 0.21 C ATOM 1452 C ALA B 18 -4.264 -4.603 -1.468 1.00 0.19 C ATOM 1453 O ALA B 18 -5.174 -4.569 -0.647 1.00 0.25 O ATOM 1454 CB ALA B 18 -1.997 -4.170 -0.522 1.00 0.26 C ATOM 0 H ALA B 18 -1.505 -5.322 -2.643 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.077 -6.002 -0.376 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.458 -3.741 0.368 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.049 -4.635 -0.251 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.818 -3.382 -1.254 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.382 -4.132 -2.702 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.558 -3.384 -3.097 1.00 0.24 C ATOM 1462 C VAL B 19 -6.384 -4.052 -4.199 1.00 0.25 C ATOM 1463 O VAL B 19 -7.482 -3.592 -4.484 1.00 0.32 O ATOM 1464 CB VAL B 19 -5.168 -1.982 -3.582 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -4.140 -1.350 -2.656 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -4.661 -2.040 -5.010 1.00 1.78 C ATOM 0 H VAL B 19 -3.684 -4.255 -3.436 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.176 -3.338 -2.200 1.00 0.24 H new ATOM 0 HB VAL B 19 -6.057 -1.351 -3.562 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -3.881 -0.357 -3.023 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.556 -1.269 -1.652 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -3.245 -1.971 -2.628 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -4.388 -1.038 -5.340 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -3.787 -2.689 -5.060 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -5.443 -2.435 -5.658 1.00 1.78 H new ATOM 1476 N GLU B 20 -5.863 -5.104 -4.827 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.540 -5.732 -5.971 1.00 0.31 C ATOM 1478 C GLU B 20 -7.989 -6.084 -5.637 1.00 0.31 C ATOM 1479 O GLU B 20 -8.908 -5.788 -6.401 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.773 -6.978 -6.444 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.391 -7.942 -5.330 1.00 0.42 C ATOM 1482 CD GLU B 20 -4.812 -9.236 -5.862 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -3.670 -9.223 -6.362 1.00 1.61 O ATOM 1484 OE2 GLU B 20 -5.507 -10.273 -5.793 1.00 1.66 O ATOM 0 H GLU B 20 -4.979 -5.541 -4.568 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.553 -5.007 -6.785 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.383 -7.509 -7.174 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -4.866 -6.658 -6.958 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.664 -7.465 -4.673 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -6.271 -8.162 -4.725 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.167 -6.708 -4.484 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.493 -7.031 -3.971 1.00 0.33 C ATOM 1493 C ALA B 21 -10.381 -5.783 -3.894 1.00 0.27 C ATOM 1494 O ALA B 21 -11.541 -5.806 -4.304 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.373 -7.684 -2.603 1.00 0.38 C ATOM 0 H ALA B 21 -7.402 -7.005 -3.878 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.965 -7.730 -4.661 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.367 -7.923 -2.225 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.787 -8.599 -2.687 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.878 -6.999 -1.915 1.00 0.38 H new ATOM 1501 N ALA B 22 -9.822 -4.696 -3.383 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.553 -3.440 -3.237 1.00 0.27 C ATOM 1503 C ALA B 22 -10.742 -2.717 -4.576 1.00 0.27 C ATOM 1504 O ALA B 22 -11.666 -1.924 -4.741 1.00 0.31 O ATOM 1505 CB ALA B 22 -9.870 -2.542 -2.231 1.00 0.33 C ATOM 0 H ALA B 22 -8.856 -4.656 -3.059 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.548 -3.687 -2.868 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -10.429 -1.611 -2.136 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -9.831 -3.043 -1.264 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -8.856 -2.324 -2.567 1.00 0.33 H new ATOM 1511 N MET B 23 -9.824 -2.917 -5.507 1.00 0.28 N ATOM 1512 CA MET B 23 -9.970 -2.335 -6.837 1.00 0.32 C ATOM 1513 C MET B 23 -11.078 -3.044 -7.605 1.00 0.33 C ATOM 1514 O MET B 23 -11.898 -2.401 -8.258 1.00 0.37 O ATOM 1515 CB MET B 23 -8.659 -2.389 -7.621 1.00 0.35 C ATOM 1516 CG MET B 23 -7.568 -1.483 -7.070 1.00 0.41 C ATOM 1517 SD MET B 23 -8.035 0.260 -7.030 1.00 0.76 S ATOM 1518 CE MET B 23 -8.569 0.429 -5.335 1.00 0.77 C ATOM 0 H MET B 23 -8.978 -3.471 -5.372 1.00 0.28 H new ATOM 0 HA MET B 23 -10.239 -1.286 -6.714 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.294 -3.416 -7.628 1.00 0.35 H new ATOM 0 HB3 MET B 23 -8.856 -2.114 -8.657 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.313 -1.806 -6.061 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.670 -1.597 -7.678 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.822 1.470 -5.135 1.00 0.77 H new ATOM 0 HE2 MET B 23 -9.446 -0.196 -5.166 1.00 0.77 H new ATOM 0 HE3 MET B 23 -7.766 0.116 -4.668 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.115 -4.370 -7.495 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.171 -5.146 -8.125 1.00 0.39 C ATOM 1530 C GLY B 24 -13.467 -5.102 -7.334 1.00 0.43 C ATOM 1531 O GLY B 24 -14.423 -5.819 -7.644 1.00 0.63 O ATOM 0 H GLY B 24 -10.430 -4.923 -6.979 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.348 -4.765 -9.131 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.846 -6.181 -8.229 1.00 0.39 H new ATOM 1535 N MET B 25 -13.473 -4.270 -6.299 1.00 0.42 N ATOM 1536 CA MET B 25 -14.632 -4.033 -5.461 1.00 0.46 C ATOM 1537 C MET B 25 -15.842 -3.617 -6.274 1.00 0.44 C ATOM 1538 O MET B 25 -15.778 -2.689 -7.080 1.00 0.48 O ATOM 1539 CB MET B 25 -14.277 -2.927 -4.485 1.00 0.59 C ATOM 1540 CG MET B 25 -15.210 -2.780 -3.321 1.00 0.60 C ATOM 1541 SD MET B 25 -14.478 -1.748 -2.052 1.00 0.99 S ATOM 1542 CE MET B 25 -15.268 -2.459 -0.639 1.00 0.45 C ATOM 0 H MET B 25 -12.653 -3.733 -6.017 1.00 0.42 H new ATOM 0 HA MET B 25 -14.891 -4.957 -4.943 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.272 -3.109 -4.104 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.246 -1.982 -5.027 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.151 -2.343 -3.655 1.00 0.60 H new ATOM 0 HG3 MET B 25 -15.444 -3.762 -2.909 1.00 0.60 H new ATOM 0 HE1 MET B 25 -15.357 -1.707 0.145 1.00 0.45 H new ATOM 0 HE2 MET B 25 -16.261 -2.813 -0.917 1.00 0.45 H new ATOM 0 HE3 MET B 25 -14.674 -3.296 -0.273 1.00 0.45 H new ATOM 1552 N SER B 26 -16.945 -4.298 -6.050 1.00 0.51 N ATOM 1553 CA SER B 26 -18.185 -3.949 -6.692 1.00 0.60 C ATOM 1554 C SER B 26 -18.985 -3.004 -5.813 1.00 0.83 C ATOM 1555 O SER B 26 -19.494 -3.391 -4.766 1.00 1.79 O ATOM 1556 CB SER B 26 -18.974 -5.208 -6.994 1.00 0.63 C ATOM 1557 OG SER B 26 -19.114 -6.025 -5.841 1.00 1.43 O ATOM 0 H SER B 26 -17.004 -5.101 -5.423 1.00 0.51 H new ATOM 0 HA SER B 26 -17.974 -3.437 -7.631 1.00 0.60 H new ATOM 0 HB2 SER B 26 -19.960 -4.938 -7.372 1.00 0.63 H new ATOM 0 HB3 SER B 26 -18.474 -5.772 -7.782 1.00 0.63 H new ATOM 0 HG SER B 26 -19.337 -5.465 -5.068 1.00 1.43 H new ATOM 1563 N TYR B 27 -19.067 -1.756 -6.223 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.790 -0.764 -5.452 1.00 0.47 C ATOM 1565 C TYR B 27 -20.821 -0.055 -6.314 1.00 0.48 C ATOM 1566 O TYR B 27 -21.318 1.010 -5.961 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.813 0.237 -4.824 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.855 0.866 -5.809 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -16.641 0.267 -6.114 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -18.172 2.058 -6.440 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -15.773 0.842 -7.011 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -17.312 2.643 -7.339 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.110 2.032 -7.627 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.239 2.617 -8.521 1.00 0.68 O ATOM 0 H TYR B 27 -18.644 -1.404 -7.082 1.00 0.48 H new ATOM 0 HA TYR B 27 -20.323 -1.271 -4.648 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -19.383 1.026 -4.334 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -18.239 -0.270 -4.048 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -16.374 -0.666 -5.639 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -19.115 2.538 -6.221 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -14.830 0.365 -7.234 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -17.576 3.575 -7.816 1.00 1.39 H new ATOM 0 HH TYR B 27 -15.453 3.569 -8.611 1.00 0.68 H new ATOM 1584 N GLN B 28 -21.156 -0.668 -7.438 1.00 0.53 N ATOM 1585 CA GLN B 28 -22.105 -0.080 -8.371 1.00 0.62 C ATOM 1586 C GLN B 28 -23.511 -0.159 -7.814 1.00 0.70 C ATOM 1587 O GLN B 28 -24.311 0.756 -7.992 1.00 0.86 O ATOM 1588 CB GLN B 28 -22.045 -0.793 -9.716 1.00 0.72 C ATOM 1589 CG GLN B 28 -20.636 -0.926 -10.243 1.00 1.34 C ATOM 1590 CD GLN B 28 -20.562 -1.645 -11.574 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -19.566 -2.296 -11.883 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -21.610 -1.537 -12.368 1.00 2.12 N ATOM 0 H GLN B 28 -20.785 -1.573 -7.727 1.00 0.53 H new ATOM 0 HA GLN B 28 -21.837 0.967 -8.514 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -22.487 -1.785 -9.617 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -22.649 -0.246 -10.440 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -20.199 0.067 -10.349 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -20.031 -1.464 -9.513 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -22.418 -0.987 -12.075 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -21.613 -2.003 -13.275 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.801 -1.246 -7.112 1.00 0.69 N ATOM 1602 CA ASP B 29 -25.129 -1.446 -6.564 1.00 0.84 C ATOM 1603 C ASP B 29 -25.245 -0.758 -5.202 1.00 0.69 C ATOM 1604 O ASP B 29 -25.711 -1.333 -4.218 1.00 0.84 O ATOM 1605 CB ASP B 29 -25.462 -2.940 -6.461 1.00 1.06 C ATOM 1606 CG ASP B 29 -26.884 -3.191 -5.984 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -27.802 -2.468 -6.426 1.00 2.58 O ATOM 1608 OD2 ASP B 29 -27.086 -4.110 -5.162 1.00 2.56 O ATOM 0 H ASP B 29 -23.139 -1.995 -6.911 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.856 -0.995 -7.240 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -25.322 -3.408 -7.436 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -24.763 -3.418 -5.775 1.00 1.06 H new ATOM 1613 N ALA B 30 -24.788 0.476 -5.159 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.819 1.277 -3.952 1.00 0.53 C ATOM 1615 C ALA B 30 -25.227 2.692 -4.297 1.00 0.54 C ATOM 1616 O ALA B 30 -25.229 3.055 -5.477 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.446 1.288 -3.306 1.00 0.46 C ATOM 0 H ALA B 30 -24.383 0.954 -5.964 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.539 0.849 -3.255 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.475 1.892 -2.399 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -23.154 0.268 -3.054 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.721 1.712 -4.000 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.587 3.512 -3.292 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.718 4.942 -3.493 1.00 0.63 C ATOM 1625 C PRO B 31 -24.494 5.462 -4.197 1.00 0.53 C ATOM 1626 O PRO B 31 -23.367 5.115 -3.842 1.00 0.45 O ATOM 1627 CB PRO B 31 -25.731 5.527 -2.098 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.151 4.414 -1.190 1.00 0.62 C ATOM 1629 CD PRO B 31 -25.905 3.110 -1.914 1.00 0.51 C ATOM 0 HA PRO B 31 -26.602 5.193 -4.079 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -24.746 5.904 -1.824 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -26.423 6.366 -2.033 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -25.585 4.447 -0.259 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.204 4.512 -0.927 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.084 2.554 -1.463 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.783 2.465 -1.881 1.00 0.51 H new ATOM 1637 N ASN B 32 -24.709 6.296 -5.177 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.617 6.812 -5.962 1.00 0.62 C ATOM 1639 C ASN B 32 -22.617 7.569 -5.104 1.00 0.59 C ATOM 1640 O ASN B 32 -21.447 7.589 -5.425 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.122 7.704 -7.086 1.00 0.73 C ATOM 1642 CG ASN B 32 -24.866 8.939 -6.612 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -25.529 8.934 -5.578 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -24.764 10.009 -7.383 1.00 2.04 N ATOM 0 H ASN B 32 -25.631 6.634 -5.453 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.107 5.954 -6.400 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -23.274 8.016 -7.696 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -24.781 7.121 -7.730 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -25.246 10.870 -7.126 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -24.203 9.973 -8.234 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.057 8.182 -4.014 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.126 8.915 -3.164 1.00 0.61 C ATOM 1653 C ASN B 33 -21.316 7.976 -2.271 1.00 0.53 C ATOM 1654 O ASN B 33 -20.150 8.239 -2.006 1.00 0.50 O ATOM 1655 CB ASN B 33 -22.820 9.968 -2.309 1.00 0.72 C ATOM 1656 CG ASN B 33 -23.812 10.808 -3.087 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -25.002 10.497 -3.134 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -23.335 11.877 -3.707 1.00 2.16 N ATOM 0 H ASN B 33 -24.028 8.189 -3.702 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.446 9.429 -3.843 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -23.337 9.475 -1.486 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -22.068 10.622 -1.867 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -23.961 12.475 -4.247 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -22.342 12.102 -3.645 1.00 2.16 H new ATOM 1665 N VAL B 34 -21.916 6.870 -1.824 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.164 5.884 -1.041 1.00 0.50 C ATOM 1667 C VAL B 34 -20.243 5.150 -1.964 1.00 0.43 C ATOM 1668 O VAL B 34 -19.101 4.895 -1.636 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.055 4.905 -0.237 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.151 5.662 0.488 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -22.637 3.804 -1.105 1.00 0.59 C ATOM 0 H VAL B 34 -22.896 6.637 -1.985 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.597 6.424 -0.283 1.00 0.50 H new ATOM 0 HB VAL B 34 -21.417 4.417 0.500 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -23.769 4.960 1.048 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -22.704 6.380 1.175 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -23.770 6.190 -0.238 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.253 3.145 -0.493 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.249 4.246 -1.892 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -21.828 3.229 -1.555 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.728 4.888 -3.150 1.00 0.43 N ATOM 1682 CA ARG B 35 -19.914 4.306 -4.172 1.00 0.44 C ATOM 1683 C ARG B 35 -18.837 5.301 -4.596 1.00 0.39 C ATOM 1684 O ARG B 35 -17.770 4.911 -5.039 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.786 3.852 -5.329 1.00 0.51 C ATOM 1686 CG ARG B 35 -20.593 4.612 -6.619 1.00 0.52 C ATOM 1687 CD ARG B 35 -21.089 3.779 -7.774 1.00 0.59 C ATOM 1688 NE ARG B 35 -22.537 3.568 -7.717 1.00 1.08 N ATOM 1689 CZ ARG B 35 -23.383 3.953 -8.674 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -22.923 4.565 -9.760 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -24.685 3.722 -8.545 1.00 2.15 N ATOM 0 H ARG B 35 -21.692 5.072 -3.428 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.404 3.421 -3.793 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.592 2.796 -5.516 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.831 3.936 -5.030 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -21.134 5.558 -6.580 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -19.539 4.853 -6.757 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -20.831 4.270 -8.712 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -20.582 2.814 -7.769 1.00 0.59 H new ATOM 0 HE ARG B 35 -22.922 3.099 -6.897 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -21.923 4.740 -9.862 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -23.570 4.859 -10.492 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -25.039 3.250 -7.713 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -25.330 4.017 -9.278 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.141 6.593 -4.508 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.130 7.629 -4.683 1.00 0.36 C ATOM 1707 C ARG B 36 -17.130 7.658 -3.543 1.00 0.34 C ATOM 1708 O ARG B 36 -16.001 8.059 -3.741 1.00 0.33 O ATOM 1709 CB ARG B 36 -18.730 9.009 -4.847 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.008 9.394 -6.287 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.236 8.180 -7.162 1.00 0.75 C ATOM 1712 NE ARG B 36 -20.135 8.446 -8.284 1.00 1.40 N ATOM 1713 CZ ARG B 36 -20.152 7.712 -9.394 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -19.244 6.763 -9.573 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -21.068 7.930 -10.329 1.00 2.88 N ATOM 0 H ARG B 36 -20.079 6.946 -4.317 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.611 7.363 -5.604 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -19.661 9.059 -4.282 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.053 9.743 -4.410 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -19.885 10.040 -6.327 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.169 9.970 -6.677 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -18.278 7.831 -7.546 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -19.649 7.374 -6.555 1.00 0.75 H new ATOM 0 HE ARG B 36 -20.781 9.232 -8.212 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -18.533 6.596 -8.860 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -19.256 6.200 -10.423 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -21.765 8.664 -10.199 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -21.075 7.364 -11.177 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.555 7.322 -2.335 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.603 7.166 -1.236 1.00 0.34 C ATOM 1731 C ASP B 37 -15.705 5.989 -1.534 1.00 0.28 C ATOM 1732 O ASP B 37 -14.536 5.949 -1.152 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.311 6.989 0.110 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.758 8.309 0.704 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.885 9.141 1.039 1.00 1.39 O ATOM 1736 OD2 ASP B 37 -18.979 8.519 0.866 1.00 1.47 O ATOM 0 H ASP B 37 -18.531 7.154 -2.089 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.005 8.074 -1.156 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.177 6.340 -0.020 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -16.640 6.488 0.808 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.275 5.052 -2.259 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.546 3.936 -2.821 1.00 0.24 C ATOM 1743 C LEU B 38 -14.657 4.433 -3.974 1.00 0.23 C ATOM 1744 O LEU B 38 -13.575 3.899 -4.211 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.552 2.898 -3.322 1.00 0.33 C ATOM 1746 CG LEU B 38 -17.221 1.993 -2.273 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -16.345 0.823 -1.964 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -17.496 2.696 -0.987 1.00 0.49 C ATOM 0 H LEU B 38 -17.271 5.043 -2.478 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.906 3.480 -2.066 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.338 3.425 -3.862 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -16.044 2.258 -4.043 1.00 0.33 H new ATOM 0 HG LEU B 38 -18.168 1.680 -2.712 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.831 0.191 -1.220 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -16.173 0.247 -2.873 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.391 1.176 -1.573 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -17.968 2.005 -0.288 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -16.559 3.058 -0.563 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.162 3.540 -1.169 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.138 5.455 -4.691 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.355 6.115 -5.739 1.00 0.26 C ATOM 1762 C ASP B 39 -13.199 6.904 -5.143 1.00 0.24 C ATOM 1763 O ASP B 39 -12.110 6.960 -5.708 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.211 7.005 -6.639 1.00 0.30 C ATOM 1765 CG ASP B 39 -15.846 6.212 -7.766 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -15.180 5.295 -8.302 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -17.006 6.492 -8.130 1.00 1.53 O ATOM 0 H ASP B 39 -16.072 5.844 -4.562 1.00 0.25 H new ATOM 0 HA ASP B 39 -13.948 5.324 -6.369 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -15.990 7.482 -6.045 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -14.595 7.802 -7.056 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.445 7.494 -3.985 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.415 8.178 -3.225 1.00 0.24 C ATOM 1774 C ASN B 40 -11.428 7.158 -2.702 1.00 0.24 C ATOM 1775 O ASN B 40 -10.217 7.385 -2.719 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.031 8.960 -2.059 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.800 10.188 -2.506 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.442 10.836 -3.492 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -14.864 10.515 -1.786 1.00 1.29 N ATOM 0 H ASN B 40 -14.366 7.512 -3.546 1.00 0.25 H new ATOM 0 HA ASN B 40 -11.903 8.887 -3.875 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.699 8.303 -1.502 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.239 9.264 -1.375 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.421 11.330 -2.041 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.125 9.951 -0.977 1.00 1.29 H new ATOM 1786 N LEU B 41 -11.958 6.026 -2.243 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.122 4.911 -1.842 1.00 0.28 C ATOM 1788 C LEU B 41 -10.241 4.509 -3.007 1.00 0.30 C ATOM 1789 O LEU B 41 -9.040 4.380 -2.855 1.00 0.37 O ATOM 1790 CB LEU B 41 -11.959 3.714 -1.391 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.131 2.521 -0.912 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.301 2.909 0.304 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.030 1.334 -0.598 1.00 1.04 C ATOM 0 H LEU B 41 -12.960 5.863 -2.142 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.511 5.226 -0.996 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.622 4.030 -0.585 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.593 3.395 -2.218 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.452 2.226 -1.712 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.716 2.050 0.635 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.629 3.726 0.040 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -10.963 3.229 1.109 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.421 0.496 -0.259 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.736 1.610 0.185 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.578 1.045 -1.495 1.00 1.04 H new ATOM 1805 N HIS B 42 -10.844 4.348 -4.178 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.096 3.999 -5.379 1.00 0.32 C ATOM 1807 C HIS B 42 -9.025 5.028 -5.672 1.00 0.38 C ATOM 1808 O HIS B 42 -7.859 4.681 -5.827 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.023 3.841 -6.587 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.593 2.471 -6.687 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.214 1.969 -7.810 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -11.607 1.483 -5.775 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.589 0.725 -7.577 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.233 0.406 -6.345 1.00 0.39 N ATOM 0 H HIS B 42 -11.848 4.453 -4.322 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.613 3.040 -5.193 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -11.835 4.565 -6.516 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -10.470 4.069 -7.498 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.199 1.530 -4.776 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.100 0.078 -8.275 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.397 -0.494 -5.893 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.417 6.290 -5.716 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.489 7.357 -6.035 1.00 0.37 C ATOM 1825 C ALA B 43 -7.310 7.383 -5.067 1.00 0.38 C ATOM 1826 O ALA B 43 -6.163 7.389 -5.499 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.204 8.697 -6.030 1.00 0.42 C ATOM 0 H ALA B 43 -10.372 6.599 -5.535 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.095 7.167 -7.034 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.495 9.489 -6.271 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.002 8.686 -6.772 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.629 8.879 -5.043 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.594 7.381 -3.766 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.545 7.459 -2.752 1.00 0.40 C ATOM 1835 C CYS B 44 -5.785 6.148 -2.571 1.00 0.35 C ATOM 1836 O CYS B 44 -4.587 6.165 -2.336 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.111 7.932 -1.421 1.00 0.46 C ATOM 1838 SG CYS B 44 -5.938 7.890 -0.044 1.00 1.64 S ATOM 0 H CYS B 44 -8.541 7.326 -3.390 1.00 0.38 H new ATOM 0 HA CYS B 44 -5.824 8.191 -3.116 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -7.476 8.952 -1.539 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -7.971 7.313 -1.167 1.00 0.46 H new ATOM 0 HG CYS B 44 -4.874 7.234 -0.400 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.472 5.019 -2.658 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.818 3.724 -2.486 1.00 0.29 C ATOM 1846 C LEU B 45 -4.870 3.474 -3.648 1.00 0.28 C ATOM 1847 O LEU B 45 -3.742 3.019 -3.468 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.862 2.608 -2.391 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.324 1.219 -2.059 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.539 1.250 -0.762 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -7.465 0.221 -1.957 1.00 1.77 C ATOM 0 H LEU B 45 -7.473 4.969 -2.845 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.246 3.732 -1.558 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.593 2.884 -1.631 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -7.394 2.553 -3.341 1.00 0.27 H new ATOM 0 HG LEU B 45 -5.656 0.907 -2.862 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -5.163 0.251 -0.540 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -4.701 1.940 -0.860 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -6.188 1.581 0.048 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -7.066 -0.765 -1.720 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -8.152 0.533 -1.171 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.997 0.178 -2.907 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.338 3.805 -4.840 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.522 3.729 -6.040 1.00 0.33 C ATOM 1865 C ASN B 46 -3.404 4.776 -5.983 1.00 0.36 C ATOM 1866 O ASN B 46 -2.252 4.493 -6.312 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.425 3.912 -7.271 1.00 0.35 C ATOM 1868 CG ASN B 46 -4.685 4.413 -8.502 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.527 5.621 -8.699 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -4.257 3.495 -9.354 1.00 0.98 N ATOM 0 H ASN B 46 -6.290 4.133 -5.003 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.043 2.753 -6.111 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -5.901 2.960 -7.506 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.221 4.615 -7.025 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -3.777 3.777 -10.209 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -4.407 2.506 -9.156 1.00 0.98 H new ATOM 1877 N LYS B 47 -3.769 5.983 -5.559 1.00 0.35 N ATOM 1878 CA LYS B 47 -2.812 7.057 -5.261 1.00 0.37 C ATOM 1879 C LYS B 47 -1.691 6.566 -4.348 1.00 0.36 C ATOM 1880 O LYS B 47 -0.512 6.734 -4.653 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.569 8.182 -4.550 1.00 0.44 C ATOM 1882 CG LYS B 47 -2.842 9.507 -4.432 1.00 0.92 C ATOM 1883 CD LYS B 47 -3.696 10.529 -3.689 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.869 10.171 -2.220 1.00 1.08 C ATOM 1885 NZ LYS B 47 -2.796 10.763 -1.379 1.00 1.51 N ATOM 0 H LYS B 47 -4.742 6.250 -5.410 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.365 7.402 -6.194 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -4.507 8.352 -5.079 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -3.826 7.842 -3.547 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -1.898 9.364 -3.906 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.599 9.883 -5.426 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -3.235 11.513 -3.770 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.675 10.596 -4.163 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -4.840 10.523 -1.872 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -3.864 9.087 -2.107 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -2.948 10.497 -0.385 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -1.871 10.408 -1.695 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -2.817 11.799 -1.467 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.072 5.955 -3.237 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.121 5.471 -2.251 1.00 0.41 C ATOM 1901 C ALA B 48 -0.231 4.393 -2.838 1.00 0.38 C ATOM 1902 O ALA B 48 0.951 4.314 -2.508 1.00 0.37 O ATOM 1903 CB ALA B 48 -1.843 4.950 -1.026 1.00 0.49 C ATOM 0 H ALA B 48 -3.047 5.781 -2.995 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.490 6.308 -1.953 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.114 4.592 -0.299 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.433 5.752 -0.583 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.502 4.130 -1.313 1.00 0.49 H new ATOM 1909 N LYS B 49 -0.783 3.585 -3.737 1.00 0.39 N ATOM 1910 CA LYS B 49 0.012 2.576 -4.415 1.00 0.40 C ATOM 1911 C LYS B 49 1.108 3.253 -5.196 1.00 0.44 C ATOM 1912 O LYS B 49 2.247 2.809 -5.212 1.00 0.53 O ATOM 1913 CB LYS B 49 -0.811 1.776 -5.418 1.00 0.38 C ATOM 1914 CG LYS B 49 -1.866 0.875 -4.828 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.329 -0.117 -5.871 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.092 0.558 -6.998 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.211 -0.322 -8.190 1.00 0.93 N ATOM 0 H LYS B 49 -1.766 3.610 -4.009 1.00 0.39 H new ATOM 0 HA LYS B 49 0.401 1.907 -3.648 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.296 2.474 -6.101 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.131 1.167 -6.014 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.465 0.347 -3.963 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.710 1.469 -4.476 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.466 -0.642 -6.281 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -2.965 -0.867 -5.401 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.087 0.833 -6.649 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.585 1.482 -7.278 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -3.738 0.174 -8.937 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -2.262 -0.564 -8.539 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -3.717 -1.193 -7.930 1.00 0.93 H new ATOM 1931 N LEU B 50 0.726 4.322 -5.863 1.00 0.40 N ATOM 1932 CA LEU B 50 1.607 5.018 -6.767 1.00 0.45 C ATOM 1933 C LEU B 50 2.611 5.897 -6.038 1.00 0.39 C ATOM 1934 O LEU B 50 3.704 6.129 -6.545 1.00 0.41 O ATOM 1935 CB LEU B 50 0.798 5.819 -7.769 1.00 0.54 C ATOM 1936 CG LEU B 50 1.296 5.702 -9.202 1.00 1.03 C ATOM 1937 CD1 LEU B 50 1.359 4.245 -9.628 1.00 2.10 C ATOM 1938 CD2 LEU B 50 0.388 6.459 -10.127 1.00 0.71 C ATOM 0 H LEU B 50 -0.206 4.730 -5.791 1.00 0.40 H new ATOM 0 HA LEU B 50 2.189 4.269 -7.303 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.240 5.490 -7.728 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.811 6.869 -7.475 1.00 0.54 H new ATOM 0 HG LEU B 50 2.298 6.127 -9.253 1.00 1.03 H new ATOM 0 HD11 LEU B 50 1.717 4.182 -10.655 1.00 2.10 H new ATOM 0 HD12 LEU B 50 2.040 3.703 -8.972 1.00 2.10 H new ATOM 0 HD13 LEU B 50 0.365 3.803 -9.563 1.00 2.10 H new ATOM 0 HD21 LEU B 50 0.753 6.369 -11.150 1.00 0.71 H new ATOM 0 HD22 LEU B 50 -0.620 6.048 -10.064 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.370 7.510 -9.840 1.00 0.71 H new ATOM 1950 N THR B 51 2.252 6.408 -4.866 1.00 0.36 N ATOM 1951 CA THR B 51 3.230 7.109 -4.043 1.00 0.36 C ATOM 1952 C THR B 51 4.339 6.140 -3.675 1.00 0.33 C ATOM 1953 O THR B 51 5.506 6.507 -3.582 1.00 0.35 O ATOM 1954 CB THR B 51 2.613 7.709 -2.762 1.00 0.39 C ATOM 1955 OG1 THR B 51 2.115 6.680 -1.895 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.484 8.650 -3.114 1.00 0.42 C ATOM 0 H THR B 51 1.313 6.353 -4.471 1.00 0.36 H new ATOM 0 HA THR B 51 3.619 7.945 -4.624 1.00 0.36 H new ATOM 0 HB THR B 51 3.399 8.256 -2.242 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.750 5.947 -2.433 1.00 0.46 H new ATOM 0 HG21 THR B 51 1.058 9.066 -2.201 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.865 9.459 -3.737 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.713 8.105 -3.658 1.00 0.42 H new ATOM 1964 N VAL B 52 3.944 4.889 -3.490 1.00 0.30 N ATOM 1965 CA VAL B 52 4.870 3.795 -3.271 1.00 0.28 C ATOM 1966 C VAL B 52 5.555 3.424 -4.584 1.00 0.28 C ATOM 1967 O VAL B 52 6.746 3.113 -4.610 1.00 0.29 O ATOM 1968 CB VAL B 52 4.118 2.590 -2.653 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.998 1.363 -2.515 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.547 2.978 -1.299 1.00 0.33 C ATOM 0 H VAL B 52 2.964 4.606 -3.488 1.00 0.30 H new ATOM 0 HA VAL B 52 5.645 4.101 -2.568 1.00 0.28 H new ATOM 0 HB VAL B 52 3.310 2.328 -3.336 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.421 0.549 -2.077 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.360 1.063 -3.498 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.846 1.594 -1.871 1.00 0.31 H new ATOM 0 HG21 VAL B 52 3.019 2.127 -0.869 1.00 0.33 H new ATOM 0 HG22 VAL B 52 4.358 3.276 -0.634 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.854 3.810 -1.421 1.00 0.33 H new ATOM 1980 N GLY B 53 4.793 3.499 -5.674 1.00 0.35 N ATOM 1981 CA GLY B 53 5.336 3.308 -7.002 1.00 0.43 C ATOM 1982 C GLY B 53 6.490 4.247 -7.250 1.00 0.39 C ATOM 1983 O GLY B 53 7.565 3.855 -7.708 1.00 0.39 O ATOM 0 H GLY B 53 3.792 3.692 -5.654 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.669 2.277 -7.118 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.557 3.477 -7.746 1.00 0.43 H new ATOM 1987 N ARG B 54 6.253 5.498 -6.918 1.00 0.39 N ATOM 1988 CA ARG B 54 7.236 6.537 -7.080 1.00 0.38 C ATOM 1989 C ARG B 54 8.252 6.574 -5.954 1.00 0.30 C ATOM 1990 O ARG B 54 9.321 7.152 -6.106 1.00 0.29 O ATOM 1991 CB ARG B 54 6.542 7.861 -7.269 1.00 0.50 C ATOM 1992 CG ARG B 54 5.734 7.851 -8.545 1.00 1.18 C ATOM 1993 CD ARG B 54 5.018 9.153 -8.764 1.00 1.37 C ATOM 1994 NE ARG B 54 5.936 10.260 -9.023 1.00 1.71 N ATOM 1995 CZ ARG B 54 5.628 11.317 -9.773 1.00 2.21 C ATOM 1996 NH1 ARG B 54 4.396 11.454 -10.253 1.00 2.36 N ATOM 1997 NH2 ARG B 54 6.542 12.246 -10.024 1.00 2.84 N ATOM 0 H ARG B 54 5.368 5.820 -6.527 1.00 0.39 H new ATOM 0 HA ARG B 54 7.817 6.315 -7.975 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.890 8.062 -6.419 1.00 0.50 H new ATOM 0 HB3 ARG B 54 7.278 8.664 -7.303 1.00 0.50 H new ATOM 0 HG2 ARG B 54 6.393 7.652 -9.390 1.00 1.18 H new ATOM 0 HG3 ARG B 54 5.008 7.039 -8.509 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.332 9.050 -9.605 1.00 1.37 H new ATOM 0 HD3 ARG B 54 4.414 9.384 -7.886 1.00 1.37 H new ATOM 0 HE ARG B 54 6.866 10.221 -8.606 1.00 1.71 H new ATOM 0 HH11 ARG B 54 3.687 10.750 -10.047 1.00 2.36 H new ATOM 0 HH12 ARG B 54 4.159 12.263 -10.827 1.00 2.36 H new ATOM 0 HH21 ARG B 54 7.483 12.152 -9.642 1.00 2.84 H new ATOM 0 HH22 ARG B 54 6.303 13.054 -10.599 1.00 2.84 H new ATOM 2011 N MET B 55 7.933 5.959 -4.829 1.00 0.30 N ATOM 2012 CA MET B 55 8.895 5.870 -3.748 1.00 0.29 C ATOM 2013 C MET B 55 9.993 4.896 -4.140 1.00 0.25 C ATOM 2014 O MET B 55 11.175 5.143 -3.908 1.00 0.26 O ATOM 2015 CB MET B 55 8.243 5.439 -2.437 1.00 0.31 C ATOM 2016 CG MET B 55 9.122 5.744 -1.243 1.00 0.33 C ATOM 2017 SD MET B 55 9.516 7.502 -1.147 1.00 0.76 S ATOM 2018 CE MET B 55 11.127 7.444 -0.382 1.00 0.39 C ATOM 0 H MET B 55 7.031 5.521 -4.642 1.00 0.30 H new ATOM 0 HA MET B 55 9.318 6.861 -3.582 1.00 0.29 H new ATOM 0 HB2 MET B 55 7.286 5.948 -2.323 1.00 0.31 H new ATOM 0 HB3 MET B 55 8.033 4.370 -2.470 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.617 5.432 -0.329 1.00 0.33 H new ATOM 0 HG3 MET B 55 10.044 5.166 -1.311 1.00 0.33 H new ATOM 0 HE1 MET B 55 11.130 8.074 0.508 1.00 0.39 H new ATOM 0 HE2 MET B 55 11.359 6.417 -0.101 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.877 7.806 -1.085 1.00 0.39 H new ATOM 2028 N VAL B 56 9.587 3.796 -4.762 1.00 0.25 N ATOM 2029 CA VAL B 56 10.531 2.865 -5.358 1.00 0.25 C ATOM 2030 C VAL B 56 11.317 3.576 -6.454 1.00 0.23 C ATOM 2031 O VAL B 56 12.519 3.372 -6.607 1.00 0.23 O ATOM 2032 CB VAL B 56 9.811 1.630 -5.945 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.806 0.667 -6.577 1.00 0.35 C ATOM 2034 CG2 VAL B 56 9.002 0.925 -4.867 1.00 0.34 C ATOM 0 H VAL B 56 8.608 3.528 -4.866 1.00 0.25 H new ATOM 0 HA VAL B 56 11.209 2.517 -4.579 1.00 0.25 H new ATOM 0 HB VAL B 56 9.131 1.974 -6.724 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.273 -0.193 -6.982 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.342 1.173 -7.380 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.517 0.331 -5.822 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.501 0.058 -5.297 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.667 0.600 -4.067 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.257 1.611 -4.464 1.00 0.34 H new ATOM 2044 N THR B 57 10.626 4.439 -7.191 1.00 0.24 N ATOM 2045 CA THR B 57 11.252 5.244 -8.229 1.00 0.27 C ATOM 2046 C THR B 57 12.322 6.166 -7.638 1.00 0.26 C ATOM 2047 O THR B 57 13.408 6.297 -8.194 1.00 0.30 O ATOM 2048 CB THR B 57 10.204 6.078 -8.983 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.200 5.212 -9.537 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.844 6.887 -10.100 1.00 0.43 C ATOM 0 H THR B 57 9.624 4.598 -7.086 1.00 0.24 H new ATOM 0 HA THR B 57 11.729 4.561 -8.932 1.00 0.27 H new ATOM 0 HB THR B 57 9.749 6.769 -8.274 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.768 4.708 -8.816 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.078 7.466 -10.615 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.588 7.563 -9.679 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.326 6.212 -10.808 1.00 0.43 H new ATOM 2058 N SER B 58 12.012 6.778 -6.496 1.00 0.31 N ATOM 2059 CA SER B 58 12.943 7.671 -5.809 1.00 0.37 C ATOM 2060 C SER B 58 14.230 6.939 -5.423 1.00 0.30 C ATOM 2061 O SER B 58 15.326 7.490 -5.520 1.00 0.38 O ATOM 2062 CB SER B 58 12.276 8.262 -4.561 1.00 0.49 C ATOM 2063 OG SER B 58 13.143 9.158 -3.880 1.00 1.23 O ATOM 0 H SER B 58 11.114 6.670 -6.024 1.00 0.31 H new ATOM 0 HA SER B 58 13.208 8.478 -6.492 1.00 0.37 H new ATOM 0 HB2 SER B 58 11.364 8.785 -4.848 1.00 0.49 H new ATOM 0 HB3 SER B 58 11.983 7.456 -3.888 1.00 0.49 H new ATOM 0 HG SER B 58 12.687 9.518 -3.091 1.00 1.23 H new ATOM 2069 N LEU B 59 14.088 5.702 -4.974 1.00 0.24 N ATOM 2070 CA LEU B 59 15.239 4.870 -4.639 1.00 0.25 C ATOM 2071 C LEU B 59 15.960 4.419 -5.906 1.00 0.21 C ATOM 2072 O LEU B 59 17.176 4.237 -5.919 1.00 0.27 O ATOM 2073 CB LEU B 59 14.802 3.644 -3.826 1.00 0.37 C ATOM 2074 CG LEU B 59 14.637 3.854 -2.311 1.00 0.37 C ATOM 2075 CD1 LEU B 59 13.704 5.014 -2.001 1.00 1.38 C ATOM 2076 CD2 LEU B 59 14.111 2.583 -1.674 1.00 1.37 C ATOM 0 H LEU B 59 13.185 5.249 -4.832 1.00 0.24 H new ATOM 0 HA LEU B 59 15.923 5.467 -4.036 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.853 3.288 -4.227 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.533 2.851 -3.984 1.00 0.37 H new ATOM 0 HG LEU B 59 15.616 4.097 -1.897 1.00 0.37 H new ATOM 0 HD11 LEU B 59 13.614 5.130 -0.921 1.00 1.38 H new ATOM 0 HD12 LEU B 59 14.107 5.930 -2.432 1.00 1.38 H new ATOM 0 HD13 LEU B 59 12.721 4.814 -2.428 1.00 1.38 H new ATOM 0 HD21 LEU B 59 13.995 2.735 -0.601 1.00 1.37 H new ATOM 0 HD22 LEU B 59 13.145 2.330 -2.111 1.00 1.37 H new ATOM 0 HD23 LEU B 59 14.814 1.769 -1.851 1.00 1.37 H new ATOM 2088 N LEU B 60 15.193 4.263 -6.975 1.00 0.19 N ATOM 2089 CA LEU B 60 15.699 3.702 -8.218 1.00 0.24 C ATOM 2090 C LEU B 60 16.358 4.752 -9.112 1.00 0.27 C ATOM 2091 O LEU B 60 16.925 4.414 -10.151 1.00 0.32 O ATOM 2092 CB LEU B 60 14.559 3.017 -8.973 1.00 0.26 C ATOM 2093 CG LEU B 60 14.653 1.492 -9.054 1.00 0.46 C ATOM 2094 CD1 LEU B 60 15.918 1.067 -9.784 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.609 0.875 -7.663 1.00 0.57 C ATOM 0 H LEU B 60 14.207 4.521 -7.005 1.00 0.19 H new ATOM 0 HA LEU B 60 16.469 2.976 -7.957 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.617 3.282 -8.493 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.524 3.417 -9.986 1.00 0.26 H new ATOM 0 HG LEU B 60 13.794 1.130 -9.618 1.00 0.46 H new ATOM 0 HD11 LEU B 60 15.964 -0.021 -9.830 1.00 1.29 H new ATOM 0 HD12 LEU B 60 15.908 1.472 -10.796 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.790 1.445 -9.251 1.00 1.29 H new ATOM 0 HD21 LEU B 60 14.677 -0.210 -7.744 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.446 1.248 -7.073 1.00 0.57 H new ATOM 0 HD23 LEU B 60 13.672 1.144 -7.175 1.00 0.57 H new ATOM 2107 N GLU B 61 16.291 6.017 -8.719 1.00 0.27 N ATOM 2108 CA GLU B 61 16.914 7.082 -9.501 1.00 0.33 C ATOM 2109 C GLU B 61 18.250 7.487 -8.888 1.00 0.36 C ATOM 2110 O GLU B 61 18.712 8.617 -9.049 1.00 0.43 O ATOM 2111 CB GLU B 61 15.987 8.297 -9.633 1.00 0.37 C ATOM 2112 CG GLU B 61 15.284 8.687 -8.347 1.00 1.02 C ATOM 2113 CD GLU B 61 14.651 10.062 -8.416 1.00 2.03 C ATOM 2114 OE1 GLU B 61 13.774 10.282 -9.278 1.00 2.59 O ATOM 2115 OE2 GLU B 61 15.021 10.932 -7.599 1.00 2.79 O ATOM 0 H GLU B 61 15.817 6.331 -7.872 1.00 0.27 H new ATOM 0 HA GLU B 61 17.096 6.695 -10.504 1.00 0.33 H new ATOM 0 HB2 GLU B 61 16.570 9.147 -9.987 1.00 0.37 H new ATOM 0 HB3 GLU B 61 15.236 8.086 -10.394 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.514 7.949 -8.121 1.00 1.02 H new ATOM 0 HG3 GLU B 61 16.000 8.663 -7.525 1.00 1.02 H new ATOM 2122 N LYS B 62 18.866 6.547 -8.186 1.00 0.36 N ATOM 2123 CA LYS B 62 20.164 6.770 -7.572 1.00 0.40 C ATOM 2124 C LYS B 62 20.929 5.456 -7.433 1.00 0.35 C ATOM 2125 O LYS B 62 20.496 4.538 -6.736 1.00 0.30 O ATOM 2126 CB LYS B 62 20.016 7.473 -6.227 1.00 0.48 C ATOM 2127 CG LYS B 62 18.771 7.083 -5.453 1.00 0.51 C ATOM 2128 CD LYS B 62 18.711 7.828 -4.138 1.00 0.76 C ATOM 2129 CE LYS B 62 18.427 9.306 -4.344 1.00 0.83 C ATOM 2130 NZ LYS B 62 18.509 10.068 -3.072 1.00 0.91 N ATOM 0 H LYS B 62 18.482 5.615 -8.027 1.00 0.36 H new ATOM 0 HA LYS B 62 20.743 7.424 -8.224 1.00 0.40 H new ATOM 0 HB2 LYS B 62 20.892 7.254 -5.617 1.00 0.48 H new ATOM 0 HB3 LYS B 62 20.004 8.550 -6.393 1.00 0.48 H new ATOM 0 HG2 LYS B 62 17.883 7.305 -6.045 1.00 0.51 H new ATOM 0 HG3 LYS B 62 18.771 6.009 -5.270 1.00 0.51 H new ATOM 0 HD2 LYS B 62 17.936 7.393 -3.508 1.00 0.76 H new ATOM 0 HD3 LYS B 62 19.656 7.709 -3.609 1.00 0.76 H new ATOM 0 HE2 LYS B 62 19.139 9.716 -5.060 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.434 9.428 -4.777 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 18.512 11.087 -3.278 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.689 9.837 -2.476 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 19.384 9.813 -2.571 1.00 0.91 H new ATOM 2144 N PRO B 63 22.101 5.375 -8.091 1.00 0.46 N ATOM 2145 CA PRO B 63 22.846 4.120 -8.281 1.00 0.48 C ATOM 2146 C PRO B 63 23.311 3.481 -6.980 1.00 0.41 C ATOM 2147 O PRO B 63 23.269 2.261 -6.837 1.00 0.40 O ATOM 2148 CB PRO B 63 24.058 4.537 -9.123 1.00 0.59 C ATOM 2149 CG PRO B 63 23.694 5.856 -9.704 1.00 0.94 C ATOM 2150 CD PRO B 63 22.811 6.515 -8.690 1.00 0.65 C ATOM 0 HA PRO B 63 22.214 3.364 -8.747 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.956 4.611 -8.510 1.00 0.59 H new ATOM 0 HB3 PRO B 63 24.265 3.806 -9.905 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.582 6.457 -9.899 1.00 0.94 H new ATOM 0 HG3 PRO B 63 23.176 5.735 -10.655 1.00 0.94 H new ATOM 0 HD2 PRO B 63 23.388 7.068 -7.949 1.00 0.65 H new ATOM 0 HD3 PRO B 63 22.123 7.224 -9.151 1.00 0.65 H new ATOM 2158 N SER B 64 23.757 4.305 -6.039 1.00 0.40 N ATOM 2159 CA SER B 64 24.264 3.814 -4.766 1.00 0.37 C ATOM 2160 C SER B 64 23.174 3.041 -4.027 1.00 0.34 C ATOM 2161 O SER B 64 23.387 1.918 -3.565 1.00 0.38 O ATOM 2162 CB SER B 64 24.740 4.999 -3.929 1.00 0.39 C ATOM 2163 OG SER B 64 25.451 5.923 -4.740 1.00 1.25 O ATOM 0 H SER B 64 23.777 5.320 -6.136 1.00 0.40 H new ATOM 0 HA SER B 64 25.100 3.137 -4.942 1.00 0.37 H new ATOM 0 HB2 SER B 64 23.885 5.493 -3.467 1.00 0.39 H new ATOM 0 HB3 SER B 64 25.380 4.647 -3.120 1.00 0.39 H new ATOM 0 HG SER B 64 25.749 6.678 -4.191 1.00 1.25 H new ATOM 2169 N VAL B 65 22.005 3.657 -3.938 1.00 0.30 N ATOM 2170 CA VAL B 65 20.841 3.041 -3.322 1.00 0.30 C ATOM 2171 C VAL B 65 20.439 1.758 -4.049 1.00 0.29 C ATOM 2172 O VAL B 65 20.268 0.710 -3.422 1.00 0.30 O ATOM 2173 CB VAL B 65 19.660 4.031 -3.302 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.375 3.359 -2.857 1.00 0.38 C ATOM 2175 CG2 VAL B 65 19.984 5.204 -2.395 1.00 0.33 C ATOM 0 H VAL B 65 21.837 4.599 -4.291 1.00 0.30 H new ATOM 0 HA VAL B 65 21.105 2.779 -2.298 1.00 0.30 H new ATOM 0 HB VAL B 65 19.506 4.393 -4.319 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.565 4.088 -2.855 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.132 2.548 -3.543 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.504 2.957 -1.852 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.145 5.900 -2.386 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.166 4.842 -1.383 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.874 5.714 -2.764 1.00 0.33 H new ATOM 2185 N VAL B 66 20.320 1.843 -5.374 1.00 0.29 N ATOM 2186 CA VAL B 66 19.921 0.697 -6.186 1.00 0.30 C ATOM 2187 C VAL B 66 20.870 -0.475 -5.980 1.00 0.30 C ATOM 2188 O VAL B 66 20.432 -1.590 -5.691 1.00 0.30 O ATOM 2189 CB VAL B 66 19.877 1.051 -7.689 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.515 -0.168 -8.526 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.891 2.177 -7.943 1.00 0.34 C ATOM 0 H VAL B 66 20.495 2.695 -5.907 1.00 0.29 H new ATOM 0 HA VAL B 66 18.919 0.415 -5.861 1.00 0.30 H new ATOM 0 HB VAL B 66 20.871 1.385 -7.985 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.491 0.109 -9.580 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.260 -0.949 -8.373 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.535 -0.538 -8.225 1.00 0.35 H new ATOM 0 HG21 VAL B 66 18.874 2.412 -9.007 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.896 1.868 -7.624 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.195 3.060 -7.381 1.00 0.34 H new ATOM 2201 N ALA B 67 22.165 -0.207 -6.096 1.00 0.33 N ATOM 2202 CA ALA B 67 23.178 -1.247 -5.983 1.00 0.35 C ATOM 2203 C ALA B 67 23.130 -1.926 -4.625 1.00 0.32 C ATOM 2204 O ALA B 67 23.352 -3.128 -4.521 1.00 0.34 O ATOM 2205 CB ALA B 67 24.564 -0.683 -6.225 1.00 0.42 C ATOM 0 H ALA B 67 22.539 0.726 -6.269 1.00 0.33 H new ATOM 0 HA ALA B 67 22.960 -1.992 -6.748 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.302 -1.480 -6.135 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.613 -0.255 -7.226 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.775 0.092 -5.488 1.00 0.42 H new ATOM 2211 N TYR B 68 22.846 -1.159 -3.583 1.00 0.30 N ATOM 2212 CA TYR B 68 22.776 -1.717 -2.246 1.00 0.30 C ATOM 2213 C TYR B 68 21.551 -2.607 -2.087 1.00 0.30 C ATOM 2214 O TYR B 68 21.560 -3.561 -1.309 1.00 0.33 O ATOM 2215 CB TYR B 68 22.814 -0.646 -1.164 1.00 0.32 C ATOM 2216 CG TYR B 68 23.716 -1.068 -0.033 1.00 0.51 C ATOM 2217 CD1 TYR B 68 23.295 -2.005 0.902 1.00 1.06 C ATOM 2218 CD2 TYR B 68 25.009 -0.574 0.067 1.00 1.31 C ATOM 2219 CE1 TYR B 68 24.133 -2.426 1.913 1.00 1.28 C ATOM 2220 CE2 TYR B 68 25.855 -0.998 1.071 1.00 1.54 C ATOM 2221 CZ TYR B 68 25.414 -1.923 1.989 1.00 1.19 C ATOM 2222 OH TYR B 68 26.256 -2.350 2.986 1.00 1.55 O ATOM 0 H TYR B 68 22.662 -0.157 -3.639 1.00 0.30 H new ATOM 0 HA TYR B 68 23.667 -2.331 -2.116 1.00 0.30 H new ATOM 0 HB2 TYR B 68 23.168 0.294 -1.587 1.00 0.32 H new ATOM 0 HB3 TYR B 68 21.807 -0.467 -0.786 1.00 0.32 H new ATOM 0 HD1 TYR B 68 22.296 -2.410 0.836 1.00 1.06 H new ATOM 0 HD2 TYR B 68 25.358 0.153 -0.651 1.00 1.31 H new ATOM 0 HE1 TYR B 68 23.788 -3.145 2.641 1.00 1.28 H new ATOM 0 HE2 TYR B 68 26.859 -0.605 1.136 1.00 1.54 H new ATOM 0 HH TYR B 68 26.040 -1.881 3.819 1.00 1.55 H new ATOM 2232 N LEU B 69 20.476 -2.259 -2.774 1.00 0.28 N ATOM 2233 CA LEU B 69 19.276 -3.079 -2.767 1.00 0.29 C ATOM 2234 C LEU B 69 19.562 -4.457 -3.354 1.00 0.31 C ATOM 2235 O LEU B 69 19.231 -5.477 -2.751 1.00 0.34 O ATOM 2236 CB LEU B 69 18.166 -2.382 -3.556 1.00 0.28 C ATOM 2237 CG LEU B 69 17.773 -1.009 -3.027 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.912 -0.270 -4.034 1.00 0.30 C ATOM 2239 CD2 LEU B 69 17.048 -1.134 -1.698 1.00 0.33 C ATOM 0 H LEU B 69 20.409 -1.415 -3.343 1.00 0.28 H new ATOM 0 HA LEU B 69 18.948 -3.211 -1.736 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.486 -2.279 -4.593 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.284 -3.022 -3.557 1.00 0.28 H new ATOM 0 HG LEU B 69 18.685 -0.433 -2.869 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.643 0.708 -3.635 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.467 -0.143 -4.963 1.00 0.30 H new ATOM 0 HD13 LEU B 69 16.006 -0.844 -4.229 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.776 -0.142 -1.337 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.146 -1.732 -1.830 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.701 -1.618 -0.971 1.00 0.33 H new ATOM 2251 N GLU B 70 20.200 -4.490 -4.509 1.00 0.32 N ATOM 2252 CA GLU B 70 20.498 -5.756 -5.170 1.00 0.39 C ATOM 2253 C GLU B 70 21.678 -6.447 -4.524 1.00 0.44 C ATOM 2254 O GLU B 70 21.740 -7.675 -4.451 1.00 0.53 O ATOM 2255 CB GLU B 70 20.769 -5.539 -6.654 1.00 0.44 C ATOM 2256 CG GLU B 70 21.318 -4.163 -6.979 1.00 0.45 C ATOM 2257 CD GLU B 70 21.695 -4.000 -8.437 1.00 0.56 C ATOM 2258 OE1 GLU B 70 21.093 -4.678 -9.296 1.00 1.32 O ATOM 2259 OE2 GLU B 70 22.597 -3.193 -8.734 1.00 1.15 O ATOM 0 H GLU B 70 20.522 -3.662 -5.010 1.00 0.32 H new ATOM 0 HA GLU B 70 19.624 -6.398 -5.062 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.476 -6.293 -6.999 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.844 -5.692 -7.209 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.574 -3.411 -6.717 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.195 -3.973 -6.360 1.00 0.45 H new ATOM 2266 N GLY B 71 22.600 -5.639 -4.048 1.00 0.44 N ATOM 2267 CA GLY B 71 23.787 -6.149 -3.420 1.00 0.53 C ATOM 2268 C GLY B 71 24.805 -6.590 -4.442 1.00 0.65 C ATOM 2269 O GLY B 71 25.345 -7.693 -4.366 1.00 0.79 O ATOM 0 H GLY B 71 22.545 -4.621 -4.087 1.00 0.44 H new ATOM 0 HA2 GLY B 71 24.221 -5.380 -2.780 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.527 -6.990 -2.777 1.00 0.53 H new ATOM 2273 N LYS B 72 25.063 -5.716 -5.398 1.00 0.69 N ATOM 2274 CA LYS B 72 25.908 -6.036 -6.533 1.00 0.93 C ATOM 2275 C LYS B 72 27.228 -5.274 -6.448 1.00 1.13 C ATOM 2276 O LYS B 72 27.228 -4.045 -6.678 1.00 1.49 O ATOM 2277 CB LYS B 72 25.164 -5.694 -7.823 1.00 1.21 C ATOM 2278 CG LYS B 72 23.794 -6.342 -7.909 1.00 1.13 C ATOM 2279 CD LYS B 72 23.856 -7.826 -8.220 1.00 1.47 C ATOM 2280 CE LYS B 72 24.100 -8.065 -9.696 1.00 1.99 C ATOM 2281 NZ LYS B 72 23.789 -9.462 -10.082 1.00 2.58 N ATOM 2282 OXT LYS B 72 28.257 -5.905 -6.136 1.00 1.80 O ATOM 0 H LYS B 72 24.693 -4.766 -5.409 1.00 0.69 H new ATOM 0 HA LYS B 72 26.139 -7.101 -6.526 1.00 0.93 H new ATOM 0 HB2 LYS B 72 25.053 -4.612 -7.896 1.00 1.21 H new ATOM 0 HB3 LYS B 72 25.764 -6.011 -8.676 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.270 -6.196 -6.964 1.00 1.13 H new ATOM 0 HG3 LYS B 72 23.209 -5.840 -8.679 1.00 1.13 H new ATOM 0 HD2 LYS B 72 24.652 -8.290 -7.637 1.00 1.47 H new ATOM 0 HD3 LYS B 72 22.922 -8.303 -7.921 1.00 1.47 H new ATOM 0 HE2 LYS B 72 23.487 -7.380 -10.282 1.00 1.99 H new ATOM 0 HE3 LYS B 72 25.141 -7.844 -9.934 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 23.968 -9.589 -11.099 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 24.391 -10.114 -9.540 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 22.789 -9.664 -9.878 1.00 2.58 H new TER 2296 LYS B 72