USER MOD reduce.3.24.130724 H: found=0, std=0, add=1440, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 93:sc= -4.24! USER MOD Set 1.2: B 22 SER OG : rot 100:sc= -2.13! USER MOD Set 2.1: A 71 GLN : amide:sc= -0.594 K(o=-2.7,f=-8.4!) USER MOD Set 2.2: B 72 ASN :FLIP amide:sc= -2.07! C(o=-4!,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.2) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.217 F(o=-0.87,f=-0.22) USER MOD Single : A 9 ASN : amide:sc= -0.0383 K(o=-0.038,f=-3.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 100:sc= -2.05! USER MOD Single : A 24 HIS : no HE2:sc= 0.546 K(o=0.55,f=-3.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -120:sc= -2.62! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.824! USER MOD Single : A 42 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.013) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -11.6! (180deg=-13.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -175:sc= -0.0149 (180deg=-0.0895) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 60 THR OG1 : rot 91:sc= 0.199 USER MOD Single : A 62 GLN : amide:sc= -0.373 K(o=-0.37,f=-3.5!) USER MOD Single : A 63 GLN : amide:sc=-0.00467 X(o=-0.0047,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -4.89! C(o=-4.9!,f=-8!) USER MOD Single : A 77 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.6!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.25) USER MOD Single : B 8 HIS :FLIP no HD1:sc= -0.278 F(o=-0.92,f=-0.28) USER MOD Single : B 9 ASN : amide:sc= -0.0616 K(o=-0.062,f=-3.4!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 HIS : no HE2:sc= 0.494 K(o=0.49,f=-3.2!) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -153:sc= -2.57! USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 34 GLN : amide:sc= -0.235 K(o=-0.23,f=-0.87) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= -0.813 USER MOD Single : B 42 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.011) USER MOD Single : B 46 LYS NZ :NH3+ 168:sc= -12! (180deg=-14!) USER MOD Single : B 48 THR OG1 : rot 88:sc= -4.1! USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl -179:sc= -0.0282 (180deg=-0.0339) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 60 THR OG1 : rot 91:sc= 0.194 USER MOD Single : B 62 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.5!) USER MOD Single : B 63 GLN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= -0.653 K(o=-0.65,f=-6.2!) USER MOD Single : B 77 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.8!) USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 94.018 3.612 13.125 1.00 2.45 N ATOM 2 CA MET A 1 94.293 2.462 14.033 1.00 2.29 C ATOM 3 C MET A 1 95.447 1.618 13.486 1.00 2.32 C ATOM 4 O MET A 1 95.402 1.136 12.371 1.00 2.74 O ATOM 5 CB MET A 1 92.996 1.653 14.046 1.00 2.36 C ATOM 6 CG MET A 1 92.900 0.863 15.352 1.00 2.59 C ATOM 7 SD MET A 1 92.367 1.964 16.685 1.00 3.07 S ATOM 8 CE MET A 1 91.312 0.775 17.549 1.00 3.41 C ATOM 0 H1 MET A 1 93.233 4.177 13.508 1.00 2.45 H new ATOM 0 H2 MET A 1 94.868 4.207 13.051 1.00 2.45 H new ATOM 0 H3 MET A 1 93.761 3.256 12.182 1.00 2.45 H new ATOM 0 HA MET A 1 94.584 2.785 15.033 1.00 2.29 H new ATOM 0 HB2 MET A 1 92.139 2.319 13.948 1.00 2.36 H new ATOM 0 HB3 MET A 1 92.971 0.973 13.195 1.00 2.36 H new ATOM 0 HG2 MET A 1 92.193 0.040 15.241 1.00 2.59 H new ATOM 0 HG3 MET A 1 93.867 0.422 15.595 1.00 2.59 H new ATOM 0 HE1 MET A 1 90.869 1.250 18.424 1.00 3.41 H new ATOM 0 HE2 MET A 1 90.520 0.438 16.880 1.00 3.41 H new ATOM 0 HE3 MET A 1 91.910 -0.080 17.864 1.00 3.41 H new ATOM 20 N ALA A 2 96.481 1.432 14.261 1.00 2.12 N ATOM 21 CA ALA A 2 97.634 0.616 13.781 1.00 2.34 C ATOM 22 C ALA A 2 97.199 -0.840 13.589 1.00 2.20 C ATOM 23 O ALA A 2 97.115 -1.603 14.531 1.00 2.84 O ATOM 24 CB ALA A 2 98.685 0.724 14.887 1.00 2.60 C ATOM 0 H ALA A 2 96.578 1.809 15.204 1.00 2.12 H new ATOM 0 HA ALA A 2 98.019 0.963 12.822 1.00 2.34 H new ATOM 0 HB1 ALA A 2 99.567 0.148 14.608 1.00 2.60 H new ATOM 0 HB2 ALA A 2 98.962 1.769 15.025 1.00 2.60 H new ATOM 0 HB3 ALA A 2 98.275 0.332 15.818 1.00 2.60 H new ATOM 30 N ASP A 3 96.915 -1.229 12.376 1.00 1.81 N ATOM 31 CA ASP A 3 96.479 -2.634 12.126 1.00 1.74 C ATOM 32 C ASP A 3 97.642 -3.466 11.576 1.00 1.64 C ATOM 33 O ASP A 3 97.677 -4.671 11.723 1.00 1.77 O ATOM 34 CB ASP A 3 95.362 -2.522 11.088 1.00 1.91 C ATOM 35 CG ASP A 3 94.637 -3.865 10.971 1.00 2.04 C ATOM 36 OD1 ASP A 3 95.304 -4.858 10.734 1.00 2.23 O ATOM 37 OD2 ASP A 3 93.426 -3.876 11.120 1.00 2.54 O ATOM 0 H ASP A 3 96.966 -0.636 11.548 1.00 1.81 H new ATOM 0 HA ASP A 3 96.143 -3.128 13.038 1.00 1.74 H new ATOM 0 HB2 ASP A 3 94.659 -1.741 11.378 1.00 1.91 H new ATOM 0 HB3 ASP A 3 95.777 -2.235 10.122 1.00 1.91 H new ATOM 42 N LYS A 4 98.591 -2.834 10.941 1.00 1.62 N ATOM 43 CA LYS A 4 99.746 -3.596 10.384 1.00 1.65 C ATOM 44 C LYS A 4 101.054 -3.126 11.028 1.00 1.60 C ATOM 45 O LYS A 4 101.288 -1.944 11.191 1.00 1.85 O ATOM 46 CB LYS A 4 99.740 -3.282 8.887 1.00 2.00 C ATOM 47 CG LYS A 4 100.203 -1.841 8.665 1.00 2.28 C ATOM 48 CD LYS A 4 100.162 -1.516 7.171 1.00 2.36 C ATOM 49 CE LYS A 4 100.259 -0.001 6.977 1.00 2.84 C ATOM 50 NZ LYS A 4 99.377 0.294 5.814 1.00 2.98 N ATOM 0 H LYS A 4 98.617 -1.827 10.784 1.00 1.62 H new ATOM 0 HA LYS A 4 99.667 -4.666 10.577 1.00 1.65 H new ATOM 0 HB2 LYS A 4 100.397 -3.972 8.357 1.00 2.00 H new ATOM 0 HB3 LYS A 4 98.738 -3.420 8.480 1.00 2.00 H new ATOM 0 HG2 LYS A 4 99.561 -1.153 9.215 1.00 2.28 H new ATOM 0 HG3 LYS A 4 101.215 -1.710 9.049 1.00 2.28 H new ATOM 0 HD2 LYS A 4 100.985 -2.013 6.657 1.00 2.36 H new ATOM 0 HD3 LYS A 4 99.238 -1.892 6.731 1.00 2.36 H new ATOM 0 HE2 LYS A 4 99.930 0.533 7.868 1.00 2.84 H new ATOM 0 HE3 LYS A 4 101.286 0.307 6.782 1.00 2.84 H new ATOM 0 HZ1 LYS A 4 99.390 1.315 5.618 1.00 2.98 H new ATOM 0 HZ2 LYS A 4 99.719 -0.223 4.979 1.00 2.98 H new ATOM 0 HZ3 LYS A 4 98.405 -0.004 6.031 1.00 2.98 H new ATOM 64 N ARG A 5 101.909 -4.042 11.395 1.00 1.49 N ATOM 65 CA ARG A 5 103.201 -3.649 12.029 1.00 1.56 C ATOM 66 C ARG A 5 104.275 -4.701 11.735 1.00 1.50 C ATOM 67 O ARG A 5 104.681 -5.447 12.604 1.00 1.88 O ATOM 68 CB ARG A 5 102.905 -3.591 13.528 1.00 1.67 C ATOM 69 CG ARG A 5 103.464 -2.292 14.110 1.00 1.78 C ATOM 70 CD ARG A 5 102.956 -2.112 15.542 1.00 1.72 C ATOM 71 NE ARG A 5 103.767 -0.996 16.101 1.00 2.00 N ATOM 72 CZ ARG A 5 103.673 -0.690 17.366 1.00 2.16 C ATOM 73 NH1 ARG A 5 103.169 -1.550 18.208 1.00 2.66 N ATOM 74 NH2 ARG A 5 104.084 0.474 17.789 1.00 2.54 N ATOM 0 H ARG A 5 101.769 -5.046 11.283 1.00 1.49 H new ATOM 0 HA ARG A 5 103.575 -2.698 11.650 1.00 1.56 H new ATOM 0 HB2 ARG A 5 101.830 -3.645 13.699 1.00 1.67 H new ATOM 0 HB3 ARG A 5 103.352 -4.449 14.031 1.00 1.67 H new ATOM 0 HG2 ARG A 5 104.554 -2.316 14.100 1.00 1.78 H new ATOM 0 HG3 ARG A 5 103.158 -1.445 13.496 1.00 1.78 H new ATOM 0 HD2 ARG A 5 101.893 -1.873 15.556 1.00 1.72 H new ATOM 0 HD3 ARG A 5 103.086 -3.024 16.124 1.00 1.72 H new ATOM 0 HE ARG A 5 104.397 -0.470 15.495 1.00 2.00 H new ATOM 0 HH11 ARG A 5 102.849 -2.460 17.877 1.00 2.66 H new ATOM 0 HH12 ARG A 5 103.095 -1.312 19.197 1.00 2.66 H new ATOM 0 HH21 ARG A 5 104.479 1.145 17.131 1.00 2.54 H new ATOM 0 HH22 ARG A 5 104.010 0.712 18.778 1.00 2.54 H new ATOM 88 N ALA A 6 104.739 -4.765 10.516 1.00 1.34 N ATOM 89 CA ALA A 6 105.786 -5.769 10.168 1.00 1.36 C ATOM 90 C ALA A 6 107.065 -5.498 10.966 1.00 1.27 C ATOM 91 O ALA A 6 107.033 -4.906 12.026 1.00 1.35 O ATOM 92 CB ALA A 6 106.037 -5.576 8.673 1.00 1.53 C ATOM 0 H ALA A 6 104.439 -4.166 9.747 1.00 1.34 H new ATOM 0 HA ALA A 6 105.476 -6.787 10.402 1.00 1.36 H new ATOM 0 HB1 ALA A 6 106.798 -6.281 8.338 1.00 1.53 H new ATOM 0 HB2 ALA A 6 105.112 -5.752 8.123 1.00 1.53 H new ATOM 0 HB3 ALA A 6 106.380 -4.558 8.490 1.00 1.53 H new ATOM 98 N HIS A 7 108.191 -5.929 10.465 1.00 1.32 N ATOM 99 CA HIS A 7 109.470 -5.696 11.196 1.00 1.38 C ATOM 100 C HIS A 7 110.141 -4.413 10.696 1.00 1.35 C ATOM 101 O HIS A 7 110.737 -4.385 9.638 1.00 1.61 O ATOM 102 CB HIS A 7 110.338 -6.913 10.873 1.00 1.71 C ATOM 103 CG HIS A 7 110.205 -7.933 11.971 1.00 2.06 C ATOM 104 ND1 HIS A 7 110.486 -7.635 13.295 1.00 2.63 N ATOM 105 CD2 HIS A 7 109.823 -9.251 11.956 1.00 2.40 C ATOM 106 CE1 HIS A 7 110.271 -8.750 14.016 1.00 3.07 C ATOM 107 NE2 HIS A 7 109.866 -9.766 13.249 1.00 2.94 N ATOM 0 H HIS A 7 108.281 -6.432 9.582 1.00 1.32 H new ATOM 0 HA HIS A 7 109.315 -5.577 12.268 1.00 1.38 H new ATOM 0 HB2 HIS A 7 110.034 -7.347 9.921 1.00 1.71 H new ATOM 0 HB3 HIS A 7 111.380 -6.611 10.767 1.00 1.71 H new ATOM 0 HD2 HIS A 7 109.533 -9.805 11.075 1.00 2.40 H new ATOM 0 HE1 HIS A 7 110.409 -8.816 15.085 1.00 3.07 H new ATOM 0 HE2 HIS A 7 109.638 -10.715 13.546 1.00 2.94 H new ATOM 115 N HIS A 8 110.048 -3.351 11.450 1.00 1.40 N ATOM 116 CA HIS A 8 110.681 -2.071 11.018 1.00 1.60 C ATOM 117 C HIS A 8 110.433 -1.834 9.525 1.00 1.52 C ATOM 118 O HIS A 8 111.301 -2.042 8.701 1.00 1.80 O ATOM 119 CB HIS A 8 112.174 -2.256 11.291 1.00 1.93 C ATOM 120 CG HIS A 8 112.396 -2.432 12.768 1.00 2.50 C ATOM 121 ND1 HIS A 8 111.521 -2.531 13.821 1.00 3.24 N flip ATOM 122 CD2 HIS A 8 113.664 -2.525 13.319 1.00 2.90 C flip ATOM 123 CE1 HIS A 8 112.233 -2.683 15.008 1.00 3.73 C flip ATOM 124 NE2 HIS A 8 113.519 -2.673 14.649 1.00 3.56 N flip ATOM 0 H HIS A 8 109.562 -3.314 12.346 1.00 1.40 H new ATOM 0 HA HIS A 8 110.273 -1.210 11.547 1.00 1.60 H new ATOM 0 HB2 HIS A 8 112.548 -3.125 10.750 1.00 1.93 H new ATOM 0 HB3 HIS A 8 112.731 -1.391 10.929 1.00 1.93 H new ATOM 0 HD2 HIS A 8 114.599 -2.486 12.779 1.00 2.90 H new ATOM 0 HE1 HIS A 8 111.831 -2.787 16.005 1.00 3.73 H new ATOM 0 HE2 HIS A 8 114.296 -2.766 15.303 1.00 3.56 H new ATOM 132 N ASN A 9 109.255 -1.398 9.172 1.00 1.44 N ATOM 133 CA ASN A 9 108.953 -1.146 7.733 1.00 1.70 C ATOM 134 C ASN A 9 109.969 -0.163 7.145 1.00 1.62 C ATOM 135 O ASN A 9 110.477 0.702 7.830 1.00 2.23 O ATOM 136 CB ASN A 9 107.550 -0.537 7.725 1.00 2.15 C ATOM 137 CG ASN A 9 106.963 -0.622 6.315 1.00 2.58 C ATOM 138 OD1 ASN A 9 107.550 -1.220 5.435 1.00 3.06 O ATOM 139 ND2 ASN A 9 105.820 -0.045 6.061 1.00 2.89 N ATOM 0 H ASN A 9 108.488 -1.205 9.817 1.00 1.44 H new ATOM 0 HA ASN A 9 109.006 -2.054 7.133 1.00 1.70 H new ATOM 0 HB2 ASN A 9 106.909 -1.066 8.430 1.00 2.15 H new ATOM 0 HB3 ASN A 9 107.592 0.502 8.051 1.00 2.15 H new ATOM 0 HD21 ASN A 9 105.420 -0.096 5.124 1.00 2.89 H new ATOM 0 HD22 ASN A 9 105.327 0.457 6.799 1.00 2.89 H new ATOM 146 N ALA A 10 110.270 -0.288 5.881 1.00 1.59 N ATOM 147 CA ALA A 10 111.254 0.642 5.256 1.00 1.61 C ATOM 148 C ALA A 10 111.101 0.634 3.732 1.00 1.50 C ATOM 149 O ALA A 10 111.464 -0.315 3.067 1.00 1.59 O ATOM 150 CB ALA A 10 112.624 0.096 5.659 1.00 1.68 C ATOM 0 H ALA A 10 109.878 -0.992 5.255 1.00 1.59 H new ATOM 0 HA ALA A 10 111.112 1.672 5.582 1.00 1.61 H new ATOM 0 HB1 ALA A 10 113.406 0.727 5.237 1.00 1.68 H new ATOM 0 HB2 ALA A 10 112.709 0.091 6.746 1.00 1.68 H new ATOM 0 HB3 ALA A 10 112.736 -0.921 5.282 1.00 1.68 H new ATOM 156 N LEU A 11 110.567 1.687 3.174 1.00 1.61 N ATOM 157 CA LEU A 11 110.394 1.738 1.693 1.00 1.72 C ATOM 158 C LEU A 11 111.103 2.968 1.119 1.00 1.71 C ATOM 159 O LEU A 11 111.379 3.042 -0.062 1.00 2.14 O ATOM 160 CB LEU A 11 108.884 1.830 1.471 1.00 2.07 C ATOM 161 CG LEU A 11 108.359 3.147 2.041 1.00 2.19 C ATOM 162 CD1 LEU A 11 107.795 4.003 0.905 1.00 2.79 C ATOM 163 CD2 LEU A 11 107.253 2.854 3.057 1.00 2.38 C ATOM 0 H LEU A 11 110.244 2.513 3.678 1.00 1.61 H new ATOM 0 HA LEU A 11 110.823 0.867 1.197 1.00 1.72 H new ATOM 0 HB2 LEU A 11 108.659 1.768 0.406 1.00 2.07 H new ATOM 0 HB3 LEU A 11 108.384 0.989 1.952 1.00 2.07 H new ATOM 0 HG LEU A 11 109.171 3.684 2.531 1.00 2.19 H new ATOM 0 HD11 LEU A 11 107.420 4.943 1.310 1.00 2.79 H new ATOM 0 HD12 LEU A 11 108.582 4.209 0.179 1.00 2.79 H new ATOM 0 HD13 LEU A 11 106.981 3.468 0.416 1.00 2.79 H new ATOM 0 HD21 LEU A 11 106.876 3.792 3.465 1.00 2.38 H new ATOM 0 HD22 LEU A 11 106.440 2.320 2.566 1.00 2.38 H new ATOM 0 HD23 LEU A 11 107.654 2.241 3.865 1.00 2.38 H new ATOM 175 N GLU A 12 111.404 3.932 1.947 1.00 1.83 N ATOM 176 CA GLU A 12 112.102 5.152 1.448 1.00 1.97 C ATOM 177 C GLU A 12 113.538 5.187 1.983 1.00 2.02 C ATOM 178 O GLU A 12 113.809 5.749 3.025 1.00 2.70 O ATOM 179 CB GLU A 12 111.290 6.326 1.999 1.00 2.42 C ATOM 180 CG GLU A 12 112.043 7.632 1.737 1.00 3.00 C ATOM 181 CD GLU A 12 111.043 8.757 1.468 1.00 3.42 C ATOM 182 OE1 GLU A 12 110.671 8.932 0.320 1.00 4.04 O ATOM 183 OE2 GLU A 12 110.666 9.427 2.416 1.00 3.60 O ATOM 0 H GLU A 12 111.197 3.928 2.946 1.00 1.83 H new ATOM 0 HA GLU A 12 112.166 5.181 0.360 1.00 1.97 H new ATOM 0 HB2 GLU A 12 110.309 6.358 1.526 1.00 2.42 H new ATOM 0 HB3 GLU A 12 111.124 6.197 3.069 1.00 2.42 H new ATOM 0 HG2 GLU A 12 112.665 7.883 2.596 1.00 3.00 H new ATOM 0 HG3 GLU A 12 112.710 7.514 0.883 1.00 3.00 H new ATOM 190 N ARG A 13 114.457 4.581 1.279 1.00 1.94 N ATOM 191 CA ARG A 13 115.875 4.568 1.748 1.00 2.19 C ATOM 192 C ARG A 13 116.557 5.907 1.444 1.00 1.89 C ATOM 193 O ARG A 13 117.415 6.357 2.178 1.00 1.90 O ATOM 194 CB ARG A 13 116.534 3.431 0.964 1.00 2.53 C ATOM 195 CG ARG A 13 116.205 2.095 1.635 1.00 2.35 C ATOM 196 CD ARG A 13 115.508 1.172 0.631 1.00 2.68 C ATOM 197 NE ARG A 13 115.429 -0.150 1.314 1.00 2.49 N ATOM 198 CZ ARG A 13 114.607 -1.065 0.876 1.00 2.49 C ATOM 199 NH1 ARG A 13 114.761 -1.562 -0.321 1.00 2.67 N ATOM 200 NH2 ARG A 13 113.632 -1.486 1.635 1.00 2.77 N ATOM 0 H ARG A 13 114.288 4.094 0.399 1.00 1.94 H new ATOM 0 HA ARG A 13 115.953 4.422 2.825 1.00 2.19 H new ATOM 0 HB2 ARG A 13 116.178 3.431 -0.066 1.00 2.53 H new ATOM 0 HB3 ARG A 13 117.614 3.577 0.928 1.00 2.53 H new ATOM 0 HG2 ARG A 13 117.118 1.626 2.002 1.00 2.35 H new ATOM 0 HG3 ARG A 13 115.562 2.260 2.500 1.00 2.35 H new ATOM 0 HD2 ARG A 13 114.516 1.544 0.375 1.00 2.68 H new ATOM 0 HD3 ARG A 13 116.072 1.103 -0.299 1.00 2.68 H new ATOM 0 HE ARG A 13 116.018 -0.340 2.125 1.00 2.49 H new ATOM 0 HH11 ARG A 13 115.524 -1.236 -0.914 1.00 2.67 H new ATOM 0 HH12 ARG A 13 114.119 -2.277 -0.663 1.00 2.67 H new ATOM 0 HH21 ARG A 13 113.512 -1.100 2.571 1.00 2.77 H new ATOM 0 HH22 ARG A 13 112.991 -2.201 1.292 1.00 2.77 H new ATOM 214 N LYS A 14 116.180 6.548 0.372 1.00 2.07 N ATOM 215 CA LYS A 14 116.802 7.859 0.025 1.00 1.90 C ATOM 216 C LYS A 14 118.326 7.786 0.151 1.00 1.90 C ATOM 217 O LYS A 14 118.939 6.782 -0.157 1.00 2.59 O ATOM 218 CB LYS A 14 116.229 8.849 1.039 1.00 2.07 C ATOM 219 CG LYS A 14 116.017 10.205 0.364 1.00 2.41 C ATOM 220 CD LYS A 14 114.642 10.229 -0.304 1.00 2.92 C ATOM 221 CE LYS A 14 114.816 10.260 -1.824 1.00 3.12 C ATOM 222 NZ LYS A 14 114.186 11.539 -2.257 1.00 3.44 N ATOM 0 H LYS A 14 115.467 6.221 -0.280 1.00 2.07 H new ATOM 0 HA LYS A 14 116.588 8.152 -1.003 1.00 1.90 H new ATOM 0 HB2 LYS A 14 115.284 8.476 1.434 1.00 2.07 H new ATOM 0 HB3 LYS A 14 116.909 8.954 1.885 1.00 2.07 H new ATOM 0 HG2 LYS A 14 116.090 11.006 1.100 1.00 2.41 H new ATOM 0 HG3 LYS A 14 116.797 10.381 -0.377 1.00 2.41 H new ATOM 0 HD2 LYS A 14 114.067 9.350 -0.011 1.00 2.92 H new ATOM 0 HD3 LYS A 14 114.080 11.102 0.027 1.00 2.92 H new ATOM 0 HE2 LYS A 14 115.869 10.225 -2.102 1.00 3.12 H new ATOM 0 HE3 LYS A 14 114.334 9.403 -2.294 1.00 3.12 H new ATOM 0 HZ1 LYS A 14 114.265 11.633 -3.290 1.00 3.44 H new ATOM 0 HZ2 LYS A 14 113.182 11.541 -1.985 1.00 3.44 H new ATOM 0 HZ3 LYS A 14 114.670 12.337 -1.799 1.00 3.44 H new ATOM 236 N ARG A 15 118.943 8.846 0.597 1.00 1.74 N ATOM 237 CA ARG A 15 120.426 8.844 0.739 1.00 1.89 C ATOM 238 C ARG A 15 120.815 8.796 2.218 1.00 1.87 C ATOM 239 O ARG A 15 121.670 9.532 2.669 1.00 2.41 O ATOM 240 CB ARG A 15 120.882 10.161 0.108 1.00 2.34 C ATOM 241 CG ARG A 15 120.388 11.332 0.960 1.00 2.53 C ATOM 242 CD ARG A 15 119.470 12.227 0.121 1.00 2.70 C ATOM 243 NE ARG A 15 120.252 13.475 -0.111 1.00 3.04 N ATOM 244 CZ ARG A 15 119.730 14.457 -0.796 1.00 2.97 C ATOM 245 NH1 ARG A 15 118.445 14.484 -1.026 1.00 3.43 N ATOM 246 NH2 ARG A 15 120.493 15.413 -1.252 1.00 2.96 N ATOM 0 H ARG A 15 118.483 9.715 0.870 1.00 1.74 H new ATOM 0 HA ARG A 15 120.887 7.979 0.261 1.00 1.89 H new ATOM 0 HB2 ARG A 15 121.969 10.184 0.034 1.00 2.34 H new ATOM 0 HB3 ARG A 15 120.492 10.245 -0.906 1.00 2.34 H new ATOM 0 HG2 ARG A 15 119.851 10.959 1.832 1.00 2.53 H new ATOM 0 HG3 ARG A 15 121.236 11.909 1.330 1.00 2.53 H new ATOM 0 HD2 ARG A 15 119.205 11.747 -0.821 1.00 2.70 H new ATOM 0 HD3 ARG A 15 118.538 12.437 0.645 1.00 2.70 H new ATOM 0 HE ARG A 15 121.196 13.562 0.266 1.00 3.04 H new ATOM 0 HH11 ARG A 15 117.847 13.738 -0.671 1.00 3.43 H new ATOM 0 HH12 ARG A 15 118.039 15.251 -1.561 1.00 3.43 H new ATOM 0 HH21 ARG A 15 121.497 15.393 -1.073 1.00 2.96 H new ATOM 0 HH22 ARG A 15 120.085 16.180 -1.787 1.00 2.96 H new ATOM 260 N ARG A 16 120.195 7.934 2.976 1.00 1.81 N ATOM 261 CA ARG A 16 120.532 7.842 4.426 1.00 1.97 C ATOM 262 C ARG A 16 120.450 6.390 4.899 1.00 2.05 C ATOM 263 O ARG A 16 119.702 6.061 5.798 1.00 2.69 O ATOM 264 CB ARG A 16 119.480 8.696 5.133 1.00 2.44 C ATOM 265 CG ARG A 16 118.101 8.055 4.961 1.00 2.72 C ATOM 266 CD ARG A 16 117.354 8.083 6.296 1.00 2.92 C ATOM 267 NE ARG A 16 116.015 8.645 5.971 1.00 3.02 N ATOM 268 CZ ARG A 16 114.938 8.086 6.451 1.00 3.06 C ATOM 269 NH1 ARG A 16 114.544 8.364 7.663 1.00 3.27 N ATOM 270 NH2 ARG A 16 114.257 7.247 5.718 1.00 3.47 N ATOM 0 H ARG A 16 119.471 7.291 2.656 1.00 1.81 H new ATOM 0 HA ARG A 16 121.545 8.186 4.636 1.00 1.97 H new ATOM 0 HB2 ARG A 16 119.721 8.786 6.192 1.00 2.44 H new ATOM 0 HB3 ARG A 16 119.478 9.705 4.720 1.00 2.44 H new ATOM 0 HG2 ARG A 16 117.531 8.591 4.202 1.00 2.72 H new ATOM 0 HG3 ARG A 16 118.207 7.027 4.613 1.00 2.72 H new ATOM 0 HD2 ARG A 16 117.270 7.084 6.723 1.00 2.92 H new ATOM 0 HD3 ARG A 16 117.875 8.700 7.028 1.00 2.92 H new ATOM 0 HE ARG A 16 115.939 9.468 5.373 1.00 3.02 H new ATOM 0 HH11 ARG A 16 115.078 9.018 8.235 1.00 3.27 H new ATOM 0 HH12 ARG A 16 113.702 7.927 8.038 1.00 3.27 H new ATOM 0 HH21 ARG A 16 114.567 7.029 4.771 1.00 3.47 H new ATOM 0 HH22 ARG A 16 113.415 6.810 6.092 1.00 3.47 H new ATOM 284 N ASP A 17 121.215 5.519 4.301 1.00 1.99 N ATOM 285 CA ASP A 17 121.180 4.088 4.719 1.00 2.34 C ATOM 286 C ASP A 17 122.138 3.260 3.857 1.00 2.60 C ATOM 287 O ASP A 17 122.685 2.268 4.298 1.00 3.25 O ATOM 288 CB ASP A 17 119.734 3.648 4.487 1.00 2.49 C ATOM 289 CG ASP A 17 119.302 2.698 5.606 1.00 3.12 C ATOM 290 OD1 ASP A 17 119.984 2.656 6.616 1.00 3.81 O ATOM 291 OD2 ASP A 17 118.297 2.030 5.433 1.00 3.27 O ATOM 0 H ASP A 17 121.862 5.735 3.542 1.00 1.99 H new ATOM 0 HA ASP A 17 121.489 3.951 5.755 1.00 2.34 H new ATOM 0 HB2 ASP A 17 119.078 4.518 4.461 1.00 2.49 H new ATOM 0 HB3 ASP A 17 119.644 3.152 3.520 1.00 2.49 H new ATOM 296 N HIS A 18 122.340 3.657 2.630 1.00 2.60 N ATOM 297 CA HIS A 18 123.256 2.893 1.736 1.00 3.03 C ATOM 298 C HIS A 18 124.680 2.885 2.305 1.00 2.23 C ATOM 299 O HIS A 18 125.202 1.851 2.683 1.00 2.28 O ATOM 300 CB HIS A 18 123.210 3.635 0.399 1.00 3.90 C ATOM 301 CG HIS A 18 121.943 3.278 -0.333 1.00 4.69 C ATOM 302 ND1 HIS A 18 121.723 2.016 -0.864 1.00 5.21 N ATOM 303 CD2 HIS A 18 120.820 4.011 -0.635 1.00 5.45 C ATOM 304 CE1 HIS A 18 120.512 2.027 -1.451 1.00 6.12 C ATOM 305 NE2 HIS A 18 119.919 3.219 -1.340 1.00 6.29 N ATOM 0 H HIS A 18 121.909 4.479 2.207 1.00 2.60 H new ATOM 0 HA HIS A 18 122.957 1.850 1.634 1.00 3.03 H new ATOM 0 HB2 HIS A 18 123.254 4.711 0.567 1.00 3.90 H new ATOM 0 HB3 HIS A 18 124.078 3.371 -0.205 1.00 3.90 H new ATOM 0 HD2 HIS A 18 120.661 5.045 -0.366 1.00 5.45 H new ATOM 0 HE1 HIS A 18 120.073 1.176 -1.951 1.00 6.12 H new ATOM 0 HE2 HIS A 18 119.002 3.490 -1.696 1.00 6.29 H new ATOM 313 N ILE A 19 125.322 4.021 2.367 1.00 1.72 N ATOM 314 CA ILE A 19 126.708 4.035 2.910 1.00 1.09 C ATOM 315 C ILE A 19 126.744 3.323 4.261 1.00 0.98 C ATOM 316 O ILE A 19 127.598 2.501 4.496 1.00 1.27 O ATOM 317 CB ILE A 19 127.117 5.503 3.049 1.00 0.98 C ATOM 318 CG1 ILE A 19 126.044 6.304 3.782 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.332 6.108 1.663 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.489 7.765 3.827 1.00 1.40 C ATOM 0 H ILE A 19 124.953 4.925 2.070 1.00 1.72 H new ATOM 0 HA ILE A 19 127.400 3.512 2.250 1.00 1.09 H new ATOM 0 HB ILE A 19 128.041 5.546 3.626 1.00 0.98 H new ATOM 0 HG12 ILE A 19 125.086 6.214 3.270 1.00 1.49 H new ATOM 0 HG13 ILE A 19 125.904 5.918 4.792 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.623 7.154 1.764 1.00 1.01 H new ATOM 0 HG22 ILE A 19 128.119 5.560 1.145 1.00 1.01 H new ATOM 0 HG23 ILE A 19 126.407 6.043 1.090 1.00 1.01 H new ATOM 0 HD11 ILE A 19 125.737 8.359 4.347 1.00 1.40 H new ATOM 0 HD12 ILE A 19 127.439 7.840 4.355 1.00 1.40 H new ATOM 0 HD13 ILE A 19 126.608 8.140 2.811 1.00 1.40 H new ATOM 332 N LYS A 20 125.822 3.616 5.145 1.00 1.14 N ATOM 333 CA LYS A 20 125.823 2.924 6.472 1.00 1.56 C ATOM 334 C LYS A 20 126.151 1.445 6.279 1.00 1.34 C ATOM 335 O LYS A 20 127.128 0.946 6.801 1.00 1.27 O ATOM 336 CB LYS A 20 124.409 3.082 7.021 1.00 2.22 C ATOM 337 CG LYS A 20 124.121 4.559 7.285 1.00 2.75 C ATOM 338 CD LYS A 20 123.019 4.681 8.336 1.00 3.61 C ATOM 339 CE LYS A 20 123.428 3.919 9.598 1.00 4.17 C ATOM 340 NZ LYS A 20 122.597 4.509 10.682 1.00 4.71 N ATOM 0 H LYS A 20 125.076 4.297 5.008 1.00 1.14 H new ATOM 0 HA LYS A 20 126.565 3.343 7.152 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.686 2.682 6.310 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.300 2.510 7.942 1.00 2.22 H new ATOM 0 HG2 LYS A 20 125.025 5.061 7.630 1.00 2.75 H new ATOM 0 HG3 LYS A 20 123.815 5.052 6.362 1.00 2.75 H new ATOM 0 HD2 LYS A 20 122.843 5.730 8.573 1.00 3.61 H new ATOM 0 HD3 LYS A 20 122.083 4.282 7.945 1.00 3.61 H new ATOM 0 HE2 LYS A 20 123.241 2.850 9.493 1.00 4.17 H new ATOM 0 HE3 LYS A 20 124.492 4.038 9.805 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 122.818 4.040 11.583 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 122.801 5.526 10.762 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 121.590 4.375 10.460 1.00 4.71 H new ATOM 354 N ASP A 21 125.355 0.744 5.516 1.00 1.44 N ATOM 355 CA ASP A 21 125.648 -0.695 5.278 1.00 1.43 C ATOM 356 C ASP A 21 127.140 -0.842 4.977 1.00 1.20 C ATOM 357 O ASP A 21 127.825 -1.685 5.529 1.00 1.26 O ATOM 358 CB ASP A 21 124.803 -1.078 4.061 1.00 1.76 C ATOM 359 CG ASP A 21 123.319 -0.949 4.412 1.00 2.21 C ATOM 360 OD1 ASP A 21 122.998 -1.044 5.584 1.00 2.74 O ATOM 361 OD2 ASP A 21 122.530 -0.757 3.502 1.00 2.76 O ATOM 0 H ASP A 21 124.521 1.104 5.051 1.00 1.44 H new ATOM 0 HA ASP A 21 125.416 -1.332 6.132 1.00 1.43 H new ATOM 0 HB2 ASP A 21 125.046 -0.432 3.218 1.00 1.76 H new ATOM 0 HB3 ASP A 21 125.028 -2.100 3.755 1.00 1.76 H new ATOM 366 N SER A 22 127.652 0.004 4.123 1.00 1.03 N ATOM 367 CA SER A 22 129.103 -0.053 3.800 1.00 0.91 C ATOM 368 C SER A 22 129.909 0.436 5.006 1.00 0.85 C ATOM 369 O SER A 22 130.855 -0.198 5.428 1.00 0.89 O ATOM 370 CB SER A 22 129.279 0.890 2.613 1.00 0.82 C ATOM 371 OG SER A 22 130.356 0.432 1.805 1.00 1.64 O ATOM 0 H SER A 22 127.127 0.731 3.637 1.00 1.03 H new ATOM 0 HA SER A 22 129.447 -1.060 3.565 1.00 0.91 H new ATOM 0 HB2 SER A 22 128.361 0.931 2.027 1.00 0.82 H new ATOM 0 HB3 SER A 22 129.478 1.902 2.964 1.00 0.82 H new ATOM 0 HG SER A 22 130.001 -0.056 1.033 1.00 1.64 H new ATOM 377 N PHE A 23 129.527 1.551 5.575 1.00 0.85 N ATOM 378 CA PHE A 23 130.252 2.067 6.768 1.00 0.87 C ATOM 379 C PHE A 23 130.520 0.903 7.718 1.00 0.89 C ATOM 380 O PHE A 23 131.645 0.498 7.920 1.00 0.90 O ATOM 381 CB PHE A 23 129.292 3.053 7.437 1.00 0.95 C ATOM 382 CG PHE A 23 129.314 4.422 6.778 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.340 4.814 5.900 1.00 1.67 C ATOM 384 CD2 PHE A 23 128.286 5.323 7.078 1.00 1.61 C ATOM 385 CE1 PHE A 23 130.313 6.096 5.336 1.00 1.93 C ATOM 386 CE2 PHE A 23 128.271 6.597 6.512 1.00 1.84 C ATOM 387 CZ PHE A 23 129.282 6.983 5.642 1.00 1.66 C ATOM 0 H PHE A 23 128.743 2.124 5.262 1.00 0.85 H new ATOM 0 HA PHE A 23 131.200 2.537 6.507 1.00 0.87 H new ATOM 0 HB2 PHE A 23 128.279 2.651 7.400 1.00 0.95 H new ATOM 0 HB3 PHE A 23 129.556 3.155 8.490 1.00 0.95 H new ATOM 0 HD1 PHE A 23 131.143 4.132 5.662 1.00 1.67 H new ATOM 0 HD2 PHE A 23 127.497 5.029 7.754 1.00 1.61 H new ATOM 0 HE1 PHE A 23 131.097 6.400 4.659 1.00 1.93 H new ATOM 0 HE2 PHE A 23 127.473 7.284 6.750 1.00 1.84 H new ATOM 0 HZ PHE A 23 129.270 7.970 5.203 1.00 1.66 H new ATOM 397 N HIS A 24 129.480 0.357 8.297 1.00 0.97 N ATOM 398 CA HIS A 24 129.658 -0.791 9.232 1.00 1.05 C ATOM 399 C HIS A 24 130.717 -1.749 8.686 1.00 0.96 C ATOM 400 O HIS A 24 131.682 -2.065 9.353 1.00 0.98 O ATOM 401 CB HIS A 24 128.294 -1.475 9.290 1.00 1.21 C ATOM 402 CG HIS A 24 127.349 -0.638 10.107 1.00 1.53 C ATOM 403 ND1 HIS A 24 126.521 0.312 9.533 1.00 1.98 N ATOM 404 CD2 HIS A 24 127.093 -0.595 11.455 1.00 2.05 C ATOM 405 CE1 HIS A 24 125.812 0.883 10.523 1.00 2.27 C ATOM 406 NE2 HIS A 24 126.122 0.367 11.716 1.00 2.31 N ATOM 0 H HIS A 24 128.515 0.659 8.161 1.00 0.97 H new ATOM 0 HA HIS A 24 129.992 -0.473 10.220 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.900 -1.610 8.283 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.391 -2.468 9.730 1.00 1.21 H new ATOM 0 HD1 HIS A 24 126.460 0.538 8.540 1.00 1.98 H new ATOM 0 HD2 HIS A 24 127.572 -1.214 12.199 1.00 2.05 H new ATOM 0 HE1 HIS A 24 125.081 1.664 10.372 1.00 2.27 H new ATOM 414 N SER A 25 130.557 -2.202 7.470 1.00 0.96 N ATOM 415 CA SER A 25 131.576 -3.124 6.892 1.00 0.97 C ATOM 416 C SER A 25 132.924 -2.403 6.813 1.00 0.91 C ATOM 417 O SER A 25 133.966 -2.979 7.053 1.00 0.96 O ATOM 418 CB SER A 25 131.064 -3.466 5.494 1.00 1.11 C ATOM 419 OG SER A 25 130.910 -4.876 5.384 1.00 1.74 O ATOM 0 H SER A 25 129.773 -1.976 6.858 1.00 0.96 H new ATOM 0 HA SER A 25 131.719 -4.022 7.493 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.111 -2.969 5.311 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.763 -3.104 4.739 1.00 1.11 H new ATOM 0 HG SER A 25 130.580 -5.100 4.489 1.00 1.74 H new ATOM 425 N LEU A 26 132.902 -1.139 6.487 1.00 0.89 N ATOM 426 CA LEU A 26 134.170 -0.360 6.399 1.00 0.96 C ATOM 427 C LEU A 26 134.753 -0.170 7.803 1.00 0.94 C ATOM 428 O LEU A 26 135.913 -0.460 8.060 1.00 1.07 O ATOM 429 CB LEU A 26 133.751 0.982 5.797 1.00 1.05 C ATOM 430 CG LEU A 26 134.237 1.069 4.351 1.00 1.30 C ATOM 431 CD1 LEU A 26 133.075 1.490 3.451 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.358 2.106 4.250 1.00 1.37 C ATOM 0 H LEU A 26 132.056 -0.610 6.277 1.00 0.89 H new ATOM 0 HA LEU A 26 134.936 -0.853 5.800 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.667 1.086 5.834 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.170 1.801 6.382 1.00 1.05 H new ATOM 0 HG LEU A 26 134.612 0.096 4.034 1.00 1.30 H new ATOM 0 HD11 LEU A 26 133.419 1.553 2.419 1.00 1.74 H new ATOM 0 HD12 LEU A 26 132.274 0.754 3.523 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.702 2.464 3.769 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.705 2.168 3.218 1.00 1.37 H new ATOM 0 HD22 LEU A 26 134.983 3.079 4.566 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.186 1.810 4.894 1.00 1.37 H new ATOM 444 N ARG A 27 133.953 0.303 8.720 1.00 0.86 N ATOM 445 CA ARG A 27 134.447 0.492 10.108 1.00 0.94 C ATOM 446 C ARG A 27 135.114 -0.803 10.566 1.00 0.93 C ATOM 447 O ARG A 27 136.117 -0.795 11.252 1.00 1.10 O ATOM 448 CB ARG A 27 133.193 0.780 10.934 1.00 0.98 C ATOM 449 CG ARG A 27 133.524 1.778 12.046 1.00 1.26 C ATOM 450 CD ARG A 27 132.371 1.815 13.052 1.00 1.39 C ATOM 451 NE ARG A 27 132.575 3.070 13.827 1.00 1.64 N ATOM 452 CZ ARG A 27 131.559 3.650 14.407 1.00 1.63 C ATOM 453 NH1 ARG A 27 130.998 3.096 15.447 1.00 2.26 N ATOM 454 NH2 ARG A 27 131.105 4.782 13.946 1.00 1.82 N ATOM 0 H ARG A 27 132.980 0.566 8.565 1.00 0.86 H new ATOM 0 HA ARG A 27 135.178 1.295 10.204 1.00 0.94 H new ATOM 0 HB2 ARG A 27 132.408 1.182 10.293 1.00 0.98 H new ATOM 0 HB3 ARG A 27 132.810 -0.145 11.365 1.00 0.98 H new ATOM 0 HG2 ARG A 27 134.449 1.490 12.546 1.00 1.26 H new ATOM 0 HG3 ARG A 27 133.686 2.770 11.624 1.00 1.26 H new ATOM 0 HD2 ARG A 27 131.406 1.816 12.546 1.00 1.39 H new ATOM 0 HD3 ARG A 27 132.388 0.942 13.704 1.00 1.39 H new ATOM 0 HE ARG A 27 133.507 3.476 13.905 1.00 1.64 H new ATOM 0 HH11 ARG A 27 131.353 2.210 15.807 1.00 2.26 H new ATOM 0 HH12 ARG A 27 130.204 3.549 15.900 1.00 2.26 H new ATOM 0 HH21 ARG A 27 131.543 5.214 13.133 1.00 1.82 H new ATOM 0 HH22 ARG A 27 130.311 5.235 14.399 1.00 1.82 H new ATOM 468 N ASP A 28 134.566 -1.920 10.164 1.00 0.89 N ATOM 469 CA ASP A 28 135.166 -3.228 10.542 1.00 0.93 C ATOM 470 C ASP A 28 136.522 -3.359 9.853 1.00 0.90 C ATOM 471 O ASP A 28 137.372 -4.126 10.258 1.00 1.02 O ATOM 472 CB ASP A 28 134.187 -4.282 10.020 1.00 1.02 C ATOM 473 CG ASP A 28 133.121 -4.564 11.081 1.00 1.53 C ATOM 474 OD1 ASP A 28 133.478 -5.072 12.131 1.00 2.29 O ATOM 475 OD2 ASP A 28 131.965 -4.269 10.824 1.00 2.00 O ATOM 0 H ASP A 28 133.726 -1.980 9.588 1.00 0.89 H new ATOM 0 HA ASP A 28 135.325 -3.335 11.615 1.00 0.93 H new ATOM 0 HB2 ASP A 28 133.716 -3.932 9.101 1.00 1.02 H new ATOM 0 HB3 ASP A 28 134.722 -5.200 9.775 1.00 1.02 H new ATOM 480 N SER A 29 136.729 -2.592 8.818 1.00 0.83 N ATOM 481 CA SER A 29 138.027 -2.638 8.100 1.00 0.86 C ATOM 482 C SER A 29 139.129 -2.170 9.045 1.00 0.88 C ATOM 483 O SER A 29 140.033 -2.914 9.370 1.00 0.94 O ATOM 484 CB SER A 29 137.878 -1.672 6.921 1.00 0.90 C ATOM 485 OG SER A 29 136.667 -1.946 6.221 1.00 1.44 O ATOM 0 H SER A 29 136.049 -1.933 8.439 1.00 0.83 H new ATOM 0 HA SER A 29 138.285 -3.639 7.755 1.00 0.86 H new ATOM 0 HB2 SER A 29 137.876 -0.643 7.280 1.00 0.90 H new ATOM 0 HB3 SER A 29 138.729 -1.773 6.247 1.00 0.90 H new ATOM 0 HG SER A 29 136.872 -2.181 5.292 1.00 1.44 H new ATOM 491 N VAL A 30 139.062 -0.946 9.509 1.00 0.87 N ATOM 492 CA VAL A 30 140.116 -0.470 10.444 1.00 0.94 C ATOM 493 C VAL A 30 139.527 -0.316 11.843 1.00 1.03 C ATOM 494 O VAL A 30 138.836 0.643 12.123 1.00 1.09 O ATOM 495 CB VAL A 30 140.554 0.877 9.882 1.00 0.92 C ATOM 496 CG1 VAL A 30 141.851 1.316 10.559 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.783 0.736 8.378 1.00 0.94 C ATOM 0 H VAL A 30 138.334 -0.269 9.283 1.00 0.87 H new ATOM 0 HA VAL A 30 140.955 -1.161 10.528 1.00 0.94 H new ATOM 0 HB VAL A 30 139.782 1.624 10.069 1.00 0.92 H new ATOM 0 HG11 VAL A 30 142.164 2.280 10.156 1.00 1.30 H new ATOM 0 HG12 VAL A 30 141.688 1.407 11.633 1.00 1.30 H new ATOM 0 HG13 VAL A 30 142.628 0.575 10.371 1.00 1.30 H new ATOM 0 HG21 VAL A 30 141.097 1.695 7.966 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.558 -0.008 8.196 1.00 0.94 H new ATOM 0 HG23 VAL A 30 139.857 0.420 7.897 1.00 0.94 H new ATOM 507 N PRO A 31 139.815 -1.278 12.678 1.00 1.11 N ATOM 508 CA PRO A 31 139.295 -1.257 14.064 1.00 1.26 C ATOM 509 C PRO A 31 139.913 -0.112 14.854 1.00 1.33 C ATOM 510 O PRO A 31 141.113 -0.034 15.030 1.00 1.61 O ATOM 511 CB PRO A 31 139.694 -2.619 14.623 1.00 1.41 C ATOM 512 CG PRO A 31 140.863 -3.043 13.794 1.00 1.38 C ATOM 513 CD PRO A 31 140.646 -2.460 12.421 1.00 1.17 C ATOM 0 HA PRO A 31 138.219 -1.093 14.118 1.00 1.26 H new ATOM 0 HB2 PRO A 31 139.961 -2.551 15.678 1.00 1.41 H new ATOM 0 HB3 PRO A 31 138.875 -3.334 14.547 1.00 1.41 H new ATOM 0 HG2 PRO A 31 141.796 -2.682 14.226 1.00 1.38 H new ATOM 0 HG3 PRO A 31 140.932 -4.130 13.748 1.00 1.38 H new ATOM 0 HD2 PRO A 31 141.589 -2.192 11.945 1.00 1.17 H new ATOM 0 HD3 PRO A 31 140.145 -3.167 11.759 1.00 1.17 H new ATOM 521 N SER A 32 139.081 0.789 15.307 1.00 1.36 N ATOM 522 CA SER A 32 139.558 1.971 16.081 1.00 1.48 C ATOM 523 C SER A 32 140.357 2.931 15.183 1.00 1.43 C ATOM 524 O SER A 32 140.700 4.021 15.593 1.00 2.26 O ATOM 525 CB SER A 32 140.439 1.408 17.203 1.00 1.54 C ATOM 526 OG SER A 32 139.697 1.390 18.416 1.00 1.81 O ATOM 0 H SER A 32 138.071 0.753 15.170 1.00 1.36 H new ATOM 0 HA SER A 32 138.724 2.548 16.481 1.00 1.48 H new ATOM 0 HB2 SER A 32 140.771 0.401 16.951 1.00 1.54 H new ATOM 0 HB3 SER A 32 141.334 2.018 17.320 1.00 1.54 H new ATOM 0 HG SER A 32 140.256 1.029 19.136 1.00 1.81 H new ATOM 532 N LEU A 33 140.660 2.545 13.962 1.00 1.03 N ATOM 533 CA LEU A 33 141.435 3.453 13.061 1.00 1.11 C ATOM 534 C LEU A 33 142.721 3.897 13.698 1.00 1.36 C ATOM 535 O LEU A 33 143.368 4.844 13.295 1.00 1.90 O ATOM 536 CB LEU A 33 140.515 4.596 12.859 1.00 1.26 C ATOM 537 CG LEU A 33 139.656 4.203 11.707 1.00 1.25 C ATOM 538 CD1 LEU A 33 138.241 4.612 12.000 1.00 1.61 C ATOM 539 CD2 LEU A 33 140.207 4.890 10.483 1.00 1.07 C ATOM 0 H LEU A 33 140.404 1.645 13.556 1.00 1.03 H new ATOM 0 HA LEU A 33 141.732 2.971 12.129 1.00 1.11 H new ATOM 0 HB2 LEU A 33 139.917 4.783 13.751 1.00 1.26 H new ATOM 0 HB3 LEU A 33 141.065 5.512 12.646 1.00 1.26 H new ATOM 0 HG LEU A 33 139.656 3.126 11.537 1.00 1.25 H new ATOM 0 HD11 LEU A 33 137.600 4.330 11.164 1.00 1.61 H new ATOM 0 HD12 LEU A 33 137.898 4.111 12.905 1.00 1.61 H new ATOM 0 HD13 LEU A 33 138.197 5.692 12.143 1.00 1.61 H new ATOM 0 HD21 LEU A 33 139.603 4.626 9.615 1.00 1.07 H new ATOM 0 HD22 LEU A 33 140.181 5.970 10.629 1.00 1.07 H new ATOM 0 HD23 LEU A 33 141.236 4.571 10.319 1.00 1.07 H new ATOM 551 N GLN A 34 143.069 3.193 14.683 1.00 1.45 N ATOM 552 CA GLN A 34 144.323 3.485 15.435 1.00 1.93 C ATOM 553 C GLN A 34 144.469 4.996 15.605 1.00 1.73 C ATOM 554 O GLN A 34 145.387 5.606 15.093 1.00 1.81 O ATOM 555 CB GLN A 34 145.448 2.933 14.558 1.00 2.70 C ATOM 556 CG GLN A 34 146.754 2.894 15.355 1.00 2.81 C ATOM 557 CD GLN A 34 147.192 1.440 15.541 1.00 3.04 C ATOM 558 OE1 GLN A 34 147.015 0.624 14.658 1.00 3.19 O ATOM 559 NE2 GLN A 34 147.759 1.076 16.658 1.00 3.67 N ATOM 0 H GLN A 34 142.539 2.395 15.033 1.00 1.45 H new ATOM 0 HA GLN A 34 144.333 3.040 16.430 1.00 1.93 H new ATOM 0 HB2 GLN A 34 145.193 1.932 14.211 1.00 2.70 H new ATOM 0 HB3 GLN A 34 145.570 3.556 13.672 1.00 2.70 H new ATOM 0 HG2 GLN A 34 147.529 3.455 14.832 1.00 2.81 H new ATOM 0 HG3 GLN A 34 146.615 3.371 16.325 1.00 2.81 H new ATOM 0 HE21 GLN A 34 147.909 1.759 17.400 1.00 3.67 H new ATOM 0 HE22 GLN A 34 148.053 0.108 16.789 1.00 3.67 H new ATOM 568 N GLY A 35 143.557 5.604 16.308 1.00 2.09 N ATOM 569 CA GLY A 35 143.621 7.076 16.503 1.00 2.10 C ATOM 570 C GLY A 35 142.474 7.724 15.729 1.00 2.03 C ATOM 571 O GLY A 35 142.538 8.876 15.349 1.00 2.32 O ATOM 0 H GLY A 35 142.767 5.142 16.758 1.00 2.09 H new ATOM 0 HA2 GLY A 35 143.547 7.320 17.563 1.00 2.10 H new ATOM 0 HA3 GLY A 35 144.578 7.462 16.153 1.00 2.10 H new ATOM 575 N GLU A 36 141.431 6.973 15.490 1.00 2.17 N ATOM 576 CA GLU A 36 140.259 7.502 14.733 1.00 2.22 C ATOM 577 C GLU A 36 140.007 8.978 15.049 1.00 2.16 C ATOM 578 O GLU A 36 140.426 9.492 16.065 1.00 2.09 O ATOM 579 CB GLU A 36 139.074 6.650 15.194 1.00 2.21 C ATOM 580 CG GLU A 36 138.600 7.122 16.572 1.00 2.59 C ATOM 581 CD GLU A 36 139.718 6.917 17.596 1.00 3.04 C ATOM 582 OE1 GLU A 36 140.038 5.773 17.872 1.00 3.47 O ATOM 583 OE2 GLU A 36 140.233 7.908 18.088 1.00 3.42 O ATOM 0 H GLU A 36 141.341 6.003 15.791 1.00 2.17 H new ATOM 0 HA GLU A 36 140.422 7.445 13.657 1.00 2.22 H new ATOM 0 HB2 GLU A 36 138.259 6.724 14.474 1.00 2.21 H new ATOM 0 HB3 GLU A 36 139.365 5.600 15.239 1.00 2.21 H new ATOM 0 HG2 GLU A 36 138.319 8.174 16.531 1.00 2.59 H new ATOM 0 HG3 GLU A 36 137.711 6.567 16.872 1.00 2.59 H new ATOM 590 N LYS A 37 139.304 9.643 14.178 1.00 2.64 N ATOM 591 CA LYS A 37 138.982 11.089 14.383 1.00 2.78 C ATOM 592 C LYS A 37 138.327 11.661 13.119 1.00 2.90 C ATOM 593 O LYS A 37 137.724 12.714 13.147 1.00 3.48 O ATOM 594 CB LYS A 37 140.321 11.785 14.651 1.00 2.94 C ATOM 595 CG LYS A 37 141.316 11.434 13.544 1.00 2.83 C ATOM 596 CD LYS A 37 142.594 12.261 13.720 1.00 3.37 C ATOM 597 CE LYS A 37 142.313 13.725 13.368 1.00 3.90 C ATOM 598 NZ LYS A 37 143.635 14.404 13.468 1.00 3.95 N ATOM 0 H LYS A 37 138.931 9.243 13.317 1.00 2.64 H new ATOM 0 HA LYS A 37 138.286 11.236 15.209 1.00 2.78 H new ATOM 0 HB2 LYS A 37 140.178 12.865 14.696 1.00 2.94 H new ATOM 0 HB3 LYS A 37 140.715 11.476 15.619 1.00 2.94 H new ATOM 0 HG2 LYS A 37 141.552 10.370 13.577 1.00 2.83 H new ATOM 0 HG3 LYS A 37 140.874 11.632 12.568 1.00 2.83 H new ATOM 0 HD2 LYS A 37 142.949 12.186 14.748 1.00 3.37 H new ATOM 0 HD3 LYS A 37 143.384 11.868 13.080 1.00 3.37 H new ATOM 0 HE2 LYS A 37 141.896 13.817 12.365 1.00 3.90 H new ATOM 0 HE3 LYS A 37 141.590 14.165 14.055 1.00 3.90 H new ATOM 0 HZ1 LYS A 37 143.525 15.413 13.241 1.00 3.95 H new ATOM 0 HZ2 LYS A 37 144.004 14.305 14.435 1.00 3.95 H new ATOM 0 HZ3 LYS A 37 144.300 13.969 12.798 1.00 3.95 H new ATOM 612 N ALA A 38 138.452 10.968 12.012 1.00 2.70 N ATOM 613 CA ALA A 38 137.853 11.439 10.730 1.00 2.90 C ATOM 614 C ALA A 38 136.552 12.228 10.961 1.00 3.20 C ATOM 615 O ALA A 38 136.575 13.423 11.181 1.00 3.70 O ATOM 616 CB ALA A 38 137.571 10.147 9.966 1.00 2.81 C ATOM 0 H ALA A 38 138.953 10.082 11.946 1.00 2.70 H new ATOM 0 HA ALA A 38 138.513 12.121 10.195 1.00 2.90 H new ATOM 0 HB1 ALA A 38 137.125 10.385 9.000 1.00 2.81 H new ATOM 0 HB2 ALA A 38 138.504 9.605 9.811 1.00 2.81 H new ATOM 0 HB3 ALA A 38 136.882 9.528 10.540 1.00 2.81 H new ATOM 622 N SER A 39 135.421 11.566 10.903 1.00 3.26 N ATOM 623 CA SER A 39 134.107 12.267 11.107 1.00 3.55 C ATOM 624 C SER A 39 132.938 11.402 10.606 1.00 2.87 C ATOM 625 O SER A 39 133.112 10.496 9.817 1.00 2.66 O ATOM 626 CB SER A 39 134.199 13.549 10.277 1.00 4.26 C ATOM 627 OG SER A 39 134.969 13.297 9.109 1.00 4.57 O ATOM 0 H SER A 39 135.348 10.565 10.722 1.00 3.26 H new ATOM 0 HA SER A 39 133.924 12.468 12.163 1.00 3.55 H new ATOM 0 HB2 SER A 39 133.201 13.891 10.002 1.00 4.26 H new ATOM 0 HB3 SER A 39 134.658 14.344 10.865 1.00 4.26 H new ATOM 0 HG SER A 39 135.029 14.116 8.574 1.00 4.57 H new ATOM 633 N ARG A 40 131.744 11.690 11.061 1.00 2.78 N ATOM 634 CA ARG A 40 130.543 10.909 10.623 1.00 2.23 C ATOM 635 C ARG A 40 130.855 9.398 10.569 1.00 1.68 C ATOM 636 O ARG A 40 130.902 8.744 11.592 1.00 1.90 O ATOM 637 CB ARG A 40 130.178 11.485 9.248 1.00 2.47 C ATOM 638 CG ARG A 40 128.662 11.390 9.037 1.00 3.29 C ATOM 639 CD ARG A 40 128.268 9.949 8.696 1.00 4.13 C ATOM 640 NE ARG A 40 126.956 9.740 9.369 1.00 4.67 N ATOM 641 CZ ARG A 40 126.423 8.548 9.410 1.00 5.65 C ATOM 642 NH1 ARG A 40 125.657 8.142 8.435 1.00 6.36 N ATOM 643 NH2 ARG A 40 126.656 7.762 10.426 1.00 6.19 N ATOM 0 H ARG A 40 131.547 12.440 11.724 1.00 2.78 H new ATOM 0 HA ARG A 40 129.709 10.998 11.319 1.00 2.23 H new ATOM 0 HB2 ARG A 40 130.500 12.524 9.180 1.00 2.47 H new ATOM 0 HB3 ARG A 40 130.700 10.938 8.463 1.00 2.47 H new ATOM 0 HG2 ARG A 40 128.140 11.715 9.937 1.00 3.29 H new ATOM 0 HG3 ARG A 40 128.356 12.059 8.233 1.00 3.29 H new ATOM 0 HD2 ARG A 40 128.186 9.806 7.618 1.00 4.13 H new ATOM 0 HD3 ARG A 40 129.014 9.240 9.056 1.00 4.13 H new ATOM 0 HE ARG A 40 126.473 10.529 9.799 1.00 4.67 H new ATOM 0 HH11 ARG A 40 125.474 8.755 7.641 1.00 6.36 H new ATOM 0 HH12 ARG A 40 125.241 7.211 8.467 1.00 6.36 H new ATOM 0 HH21 ARG A 40 127.255 8.078 11.189 1.00 6.19 H new ATOM 0 HH22 ARG A 40 126.239 6.832 10.457 1.00 6.19 H new ATOM 657 N ALA A 41 131.082 8.829 9.407 1.00 1.54 N ATOM 658 CA ALA A 41 131.399 7.378 9.348 1.00 1.81 C ATOM 659 C ALA A 41 132.854 7.221 9.735 1.00 1.57 C ATOM 660 O ALA A 41 133.247 6.280 10.392 1.00 2.23 O ATOM 661 CB ALA A 41 131.162 6.971 7.892 1.00 2.44 C ATOM 0 H ALA A 41 131.060 9.308 8.507 1.00 1.54 H new ATOM 0 HA ALA A 41 130.796 6.762 10.015 1.00 1.81 H new ATOM 0 HB1 ALA A 41 131.377 5.909 7.772 1.00 2.44 H new ATOM 0 HB2 ALA A 41 130.123 7.164 7.625 1.00 2.44 H new ATOM 0 HB3 ALA A 41 131.817 7.550 7.241 1.00 2.44 H new ATOM 667 N GLN A 42 133.642 8.182 9.342 1.00 1.30 N ATOM 668 CA GLN A 42 135.096 8.192 9.680 1.00 1.16 C ATOM 669 C GLN A 42 135.880 7.176 8.842 1.00 1.10 C ATOM 670 O GLN A 42 137.095 7.264 8.712 1.00 1.37 O ATOM 671 CB GLN A 42 135.177 7.836 11.169 1.00 1.29 C ATOM 672 CG GLN A 42 134.138 8.632 11.971 1.00 2.01 C ATOM 673 CD GLN A 42 134.354 8.376 13.463 1.00 2.19 C ATOM 674 OE1 GLN A 42 133.419 8.095 14.186 1.00 2.84 O ATOM 675 NE2 GLN A 42 135.561 8.458 13.955 1.00 2.21 N ATOM 0 H GLN A 42 133.333 8.980 8.787 1.00 1.30 H new ATOM 0 HA GLN A 42 135.538 9.165 9.466 1.00 1.16 H new ATOM 0 HB2 GLN A 42 135.007 6.768 11.303 1.00 1.29 H new ATOM 0 HB3 GLN A 42 136.177 8.050 11.546 1.00 1.29 H new ATOM 0 HG2 GLN A 42 134.231 9.696 11.755 1.00 2.01 H new ATOM 0 HG3 GLN A 42 133.130 8.335 11.680 1.00 2.01 H new ATOM 0 HE21 GLN A 42 136.345 8.694 13.346 1.00 2.21 H new ATOM 0 HE22 GLN A 42 135.720 8.286 14.948 1.00 2.21 H new ATOM 684 N ILE A 43 135.217 6.220 8.255 1.00 0.94 N ATOM 685 CA ILE A 43 135.964 5.231 7.440 1.00 1.02 C ATOM 686 C ILE A 43 136.280 5.850 6.083 1.00 0.95 C ATOM 687 O ILE A 43 137.190 5.433 5.405 1.00 1.01 O ATOM 688 CB ILE A 43 135.083 3.976 7.308 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.049 3.900 8.442 1.00 2.22 C ATOM 690 CG2 ILE A 43 135.982 2.744 7.401 1.00 1.33 C ATOM 691 CD1 ILE A 43 132.711 4.453 7.954 1.00 2.95 C ATOM 0 H ILE A 43 134.207 6.083 8.304 1.00 0.94 H new ATOM 0 HA ILE A 43 136.910 4.951 7.904 1.00 1.02 H new ATOM 0 HB ILE A 43 134.557 4.019 6.354 1.00 1.18 H new ATOM 0 HG12 ILE A 43 133.929 2.867 8.770 1.00 2.22 H new ATOM 0 HG13 ILE A 43 134.397 4.470 9.304 1.00 2.22 H new ATOM 0 HG21 ILE A 43 135.375 1.843 7.310 1.00 1.33 H new ATOM 0 HG22 ILE A 43 136.718 2.769 6.597 1.00 1.33 H new ATOM 0 HG23 ILE A 43 136.495 2.740 8.363 1.00 1.33 H new ATOM 0 HD11 ILE A 43 131.979 4.398 8.760 1.00 2.95 H new ATOM 0 HD12 ILE A 43 132.836 5.492 7.648 1.00 2.95 H new ATOM 0 HD13 ILE A 43 132.362 3.864 7.106 1.00 2.95 H new ATOM 703 N LEU A 44 135.558 6.868 5.693 1.00 0.95 N ATOM 704 CA LEU A 44 135.869 7.524 4.392 1.00 1.07 C ATOM 705 C LEU A 44 137.209 8.237 4.514 1.00 1.01 C ATOM 706 O LEU A 44 138.083 8.097 3.681 1.00 0.96 O ATOM 707 CB LEU A 44 134.744 8.528 4.160 1.00 1.43 C ATOM 708 CG LEU A 44 133.552 7.812 3.531 1.00 0.94 C ATOM 709 CD1 LEU A 44 133.297 6.504 4.267 1.00 1.42 C ATOM 710 CD2 LEU A 44 132.313 8.687 3.652 1.00 1.24 C ATOM 0 H LEU A 44 134.777 7.268 6.212 1.00 0.95 H new ATOM 0 HA LEU A 44 135.937 6.817 3.566 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.450 8.987 5.104 1.00 1.43 H new ATOM 0 HB3 LEU A 44 135.086 9.331 3.507 1.00 1.43 H new ATOM 0 HG LEU A 44 133.768 7.613 2.481 1.00 0.94 H new ATOM 0 HD11 LEU A 44 132.446 5.993 3.817 1.00 1.42 H new ATOM 0 HD12 LEU A 44 134.180 5.869 4.196 1.00 1.42 H new ATOM 0 HD13 LEU A 44 133.083 6.712 5.315 1.00 1.42 H new ATOM 0 HD21 LEU A 44 131.461 8.176 3.203 1.00 1.24 H new ATOM 0 HD22 LEU A 44 132.106 8.881 4.704 1.00 1.24 H new ATOM 0 HD23 LEU A 44 132.483 9.632 3.136 1.00 1.24 H new ATOM 722 N ASP A 45 137.387 8.982 5.569 1.00 1.09 N ATOM 723 CA ASP A 45 138.682 9.680 5.767 1.00 1.15 C ATOM 724 C ASP A 45 139.809 8.659 5.641 1.00 1.00 C ATOM 725 O ASP A 45 140.766 8.859 4.917 1.00 0.93 O ATOM 726 CB ASP A 45 138.610 10.243 7.184 1.00 1.37 C ATOM 727 CG ASP A 45 138.685 11.770 7.131 1.00 1.59 C ATOM 728 OD1 ASP A 45 139.586 12.276 6.484 1.00 2.29 O ATOM 729 OD2 ASP A 45 137.839 12.406 7.737 1.00 1.77 O ATOM 0 H ASP A 45 136.692 9.136 6.300 1.00 1.09 H new ATOM 0 HA ASP A 45 138.867 10.469 5.038 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.683 9.930 7.664 1.00 1.37 H new ATOM 0 HB3 ASP A 45 139.429 9.849 7.785 1.00 1.37 H new ATOM 734 N LYS A 46 139.691 7.549 6.323 1.00 1.02 N ATOM 735 CA LYS A 46 140.751 6.507 6.214 1.00 0.96 C ATOM 736 C LYS A 46 140.616 5.777 4.873 1.00 0.84 C ATOM 737 O LYS A 46 141.592 5.476 4.214 1.00 0.89 O ATOM 738 CB LYS A 46 140.491 5.549 7.375 1.00 1.02 C ATOM 739 CG LYS A 46 141.279 4.252 7.159 1.00 1.54 C ATOM 740 CD LYS A 46 140.403 3.226 6.433 1.00 1.67 C ATOM 741 CE LYS A 46 139.166 2.919 7.276 1.00 2.59 C ATOM 742 NZ LYS A 46 138.519 1.764 6.595 1.00 2.66 N ATOM 0 H LYS A 46 138.914 7.322 6.944 1.00 1.02 H new ATOM 0 HA LYS A 46 141.756 6.926 6.257 1.00 0.96 H new ATOM 0 HB2 LYS A 46 140.787 6.013 8.316 1.00 1.02 H new ATOM 0 HB3 LYS A 46 139.426 5.331 7.448 1.00 1.02 H new ATOM 0 HG2 LYS A 46 142.177 4.454 6.575 1.00 1.54 H new ATOM 0 HG3 LYS A 46 141.606 3.851 8.118 1.00 1.54 H new ATOM 0 HD2 LYS A 46 140.104 3.613 5.459 1.00 1.67 H new ATOM 0 HD3 LYS A 46 140.969 2.312 6.253 1.00 1.67 H new ATOM 0 HE2 LYS A 46 139.438 2.672 8.302 1.00 2.59 H new ATOM 0 HE3 LYS A 46 138.496 3.777 7.322 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 137.845 1.311 7.245 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 138.014 2.098 5.749 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 139.246 1.075 6.314 1.00 2.66 H new ATOM 756 N ALA A 47 139.405 5.494 4.469 1.00 0.73 N ATOM 757 CA ALA A 47 139.188 4.786 3.172 1.00 0.69 C ATOM 758 C ALA A 47 139.977 5.489 2.067 1.00 0.70 C ATOM 759 O ALA A 47 140.685 4.867 1.299 1.00 0.70 O ATOM 760 CB ALA A 47 137.675 4.880 2.903 1.00 0.69 C ATOM 0 H ALA A 47 138.554 5.723 4.983 1.00 0.73 H new ATOM 0 HA ALA A 47 139.523 3.749 3.202 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.441 4.380 1.963 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.130 4.399 3.716 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.381 5.928 2.839 1.00 0.69 H new ATOM 766 N THR A 48 139.862 6.785 1.986 1.00 0.83 N ATOM 767 CA THR A 48 140.605 7.540 0.936 1.00 0.92 C ATOM 768 C THR A 48 142.112 7.432 1.178 1.00 0.83 C ATOM 769 O THR A 48 142.883 7.208 0.266 1.00 0.79 O ATOM 770 CB THR A 48 140.147 8.991 1.084 1.00 1.17 C ATOM 771 OG1 THR A 48 138.850 9.021 1.664 1.00 1.76 O ATOM 772 CG2 THR A 48 140.112 9.658 -0.292 1.00 1.36 C ATOM 0 H THR A 48 139.284 7.356 2.603 1.00 0.83 H new ATOM 0 HA THR A 48 140.410 7.152 -0.064 1.00 0.92 H new ATOM 0 HB THR A 48 140.843 9.529 1.728 1.00 1.17 H new ATOM 0 HG1 THR A 48 138.929 9.106 2.637 1.00 1.76 H new ATOM 0 HG21 THR A 48 139.785 10.693 -0.187 1.00 1.36 H new ATOM 0 HG22 THR A 48 141.109 9.635 -0.733 1.00 1.36 H new ATOM 0 HG23 THR A 48 139.417 9.122 -0.938 1.00 1.36 H new ATOM 780 N GLU A 49 142.538 7.591 2.402 1.00 0.88 N ATOM 781 CA GLU A 49 143.996 7.498 2.699 1.00 0.90 C ATOM 782 C GLU A 49 144.516 6.101 2.353 1.00 0.77 C ATOM 783 O GLU A 49 145.429 5.947 1.567 1.00 0.83 O ATOM 784 CB GLU A 49 144.111 7.764 4.200 1.00 1.04 C ATOM 785 CG GLU A 49 144.031 9.271 4.457 1.00 1.34 C ATOM 786 CD GLU A 49 145.329 9.938 3.997 1.00 1.68 C ATOM 787 OE1 GLU A 49 146.219 9.224 3.565 1.00 2.01 O ATOM 788 OE2 GLU A 49 145.410 11.153 4.084 1.00 2.26 O ATOM 0 H GLU A 49 141.941 7.781 3.207 1.00 0.88 H new ATOM 0 HA GLU A 49 144.585 8.206 2.116 1.00 0.90 H new ATOM 0 HB2 GLU A 49 143.312 7.250 4.734 1.00 1.04 H new ATOM 0 HB3 GLU A 49 145.053 7.369 4.579 1.00 1.04 H new ATOM 0 HG2 GLU A 49 143.182 9.697 3.923 1.00 1.34 H new ATOM 0 HG3 GLU A 49 143.868 9.461 5.518 1.00 1.34 H new ATOM 795 N TYR A 50 143.940 5.079 2.927 1.00 0.67 N ATOM 796 CA TYR A 50 144.406 3.698 2.615 1.00 0.64 C ATOM 797 C TYR A 50 144.424 3.486 1.100 1.00 0.62 C ATOM 798 O TYR A 50 145.464 3.295 0.501 1.00 0.64 O ATOM 799 CB TYR A 50 143.383 2.771 3.274 1.00 0.65 C ATOM 800 CG TYR A 50 143.838 2.423 4.672 1.00 0.93 C ATOM 801 CD1 TYR A 50 144.671 3.300 5.379 1.00 1.38 C ATOM 802 CD2 TYR A 50 143.424 1.224 5.262 1.00 1.72 C ATOM 803 CE1 TYR A 50 145.092 2.974 6.674 1.00 1.72 C ATOM 804 CE2 TYR A 50 143.845 0.898 6.557 1.00 2.07 C ATOM 805 CZ TYR A 50 144.677 1.774 7.264 1.00 1.79 C ATOM 806 OH TYR A 50 145.091 1.452 8.540 1.00 2.26 O ATOM 0 H TYR A 50 143.171 5.140 3.595 1.00 0.67 H new ATOM 0 HA TYR A 50 145.416 3.509 2.980 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.408 3.256 3.309 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.266 1.863 2.682 1.00 0.65 H new ATOM 0 HD1 TYR A 50 144.988 4.227 4.925 1.00 1.38 H new ATOM 0 HD2 TYR A 50 142.779 0.549 4.718 1.00 1.72 H new ATOM 0 HE1 TYR A 50 145.737 3.648 7.218 1.00 1.72 H new ATOM 0 HE2 TYR A 50 143.528 -0.029 7.010 1.00 2.07 H new ATOM 0 HH TYR A 50 144.712 0.586 8.798 1.00 2.26 H new ATOM 816 N ILE A 51 143.278 3.521 0.475 1.00 0.65 N ATOM 817 CA ILE A 51 143.224 3.324 -1.002 1.00 0.67 C ATOM 818 C ILE A 51 144.370 4.078 -1.684 1.00 0.66 C ATOM 819 O ILE A 51 145.000 3.575 -2.591 1.00 0.65 O ATOM 820 CB ILE A 51 141.871 3.895 -1.428 1.00 0.76 C ATOM 821 CG1 ILE A 51 140.757 2.954 -0.959 1.00 0.88 C ATOM 822 CG2 ILE A 51 141.826 4.021 -2.952 1.00 0.82 C ATOM 823 CD1 ILE A 51 139.392 3.584 -1.247 1.00 0.73 C ATOM 0 H ILE A 51 142.376 3.678 0.924 1.00 0.65 H new ATOM 0 HA ILE A 51 143.330 2.276 -1.282 1.00 0.67 H new ATOM 0 HB ILE A 51 141.732 4.879 -0.981 1.00 0.76 H new ATOM 0 HG12 ILE A 51 140.840 1.994 -1.469 1.00 0.88 H new ATOM 0 HG13 ILE A 51 140.859 2.758 0.108 1.00 0.88 H new ATOM 0 HG21 ILE A 51 140.861 4.428 -3.255 1.00 0.82 H new ATOM 0 HG22 ILE A 51 142.622 4.687 -3.286 1.00 0.82 H new ATOM 0 HG23 ILE A 51 141.963 3.038 -3.403 1.00 0.82 H new ATOM 0 HD11 ILE A 51 138.603 2.911 -0.912 1.00 0.73 H new ATOM 0 HD12 ILE A 51 139.310 4.533 -0.716 1.00 0.73 H new ATOM 0 HD13 ILE A 51 139.290 3.758 -2.318 1.00 0.73 H new ATOM 835 N GLN A 52 144.648 5.279 -1.257 1.00 0.77 N ATOM 836 CA GLN A 52 145.756 6.055 -1.888 1.00 0.82 C ATOM 837 C GLN A 52 147.109 5.599 -1.331 1.00 0.73 C ATOM 838 O GLN A 52 147.871 4.926 -1.997 1.00 0.71 O ATOM 839 CB GLN A 52 145.486 7.512 -1.512 1.00 1.02 C ATOM 840 CG GLN A 52 145.649 8.397 -2.749 1.00 1.19 C ATOM 841 CD GLN A 52 145.409 9.858 -2.366 1.00 1.68 C ATOM 842 OE1 GLN A 52 146.292 10.517 -1.853 1.00 2.44 O ATOM 843 NE2 GLN A 52 144.242 10.396 -2.593 1.00 2.11 N ATOM 0 H GLN A 52 144.158 5.757 -0.501 1.00 0.77 H new ATOM 0 HA GLN A 52 145.794 5.913 -2.968 1.00 0.82 H new ATOM 0 HB2 GLN A 52 144.478 7.614 -1.109 1.00 1.02 H new ATOM 0 HB3 GLN A 52 146.176 7.831 -0.730 1.00 1.02 H new ATOM 0 HG2 GLN A 52 146.650 8.279 -3.165 1.00 1.19 H new ATOM 0 HG3 GLN A 52 144.944 8.092 -3.523 1.00 1.19 H new ATOM 0 HE21 GLN A 52 143.501 9.843 -3.024 1.00 2.11 H new ATOM 0 HE22 GLN A 52 144.071 11.369 -2.340 1.00 2.11 H new ATOM 852 N TYR A 53 147.411 5.961 -0.114 1.00 0.75 N ATOM 853 CA TYR A 53 148.712 5.551 0.488 1.00 0.76 C ATOM 854 C TYR A 53 148.985 4.069 0.191 1.00 0.68 C ATOM 855 O TYR A 53 150.073 3.697 -0.201 1.00 0.79 O ATOM 856 CB TYR A 53 148.538 5.824 1.996 1.00 0.87 C ATOM 857 CG TYR A 53 149.088 4.683 2.828 1.00 0.96 C ATOM 858 CD1 TYR A 53 150.463 4.420 2.836 1.00 1.62 C ATOM 859 CD2 TYR A 53 148.220 3.892 3.590 1.00 1.50 C ATOM 860 CE1 TYR A 53 150.970 3.365 3.605 1.00 1.73 C ATOM 861 CE2 TYR A 53 148.727 2.837 4.359 1.00 1.56 C ATOM 862 CZ TYR A 53 150.102 2.574 4.368 1.00 1.22 C ATOM 863 OH TYR A 53 150.601 1.534 5.126 1.00 1.38 O ATOM 0 H TYR A 53 146.812 6.524 0.490 1.00 0.75 H new ATOM 0 HA TYR A 53 149.567 6.094 0.085 1.00 0.76 H new ATOM 0 HB2 TYR A 53 149.048 6.750 2.262 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.481 5.966 2.223 1.00 0.87 H new ATOM 0 HD1 TYR A 53 151.133 5.031 2.249 1.00 1.62 H new ATOM 0 HD2 TYR A 53 147.159 4.095 3.585 1.00 1.50 H new ATOM 0 HE1 TYR A 53 152.031 3.161 3.610 1.00 1.73 H new ATOM 0 HE2 TYR A 53 148.057 2.226 4.945 1.00 1.56 H new ATOM 0 HH TYR A 53 149.865 1.088 5.594 1.00 1.38 H new ATOM 873 N MET A 54 148.009 3.224 0.377 1.00 0.59 N ATOM 874 CA MET A 54 148.220 1.772 0.106 1.00 0.60 C ATOM 875 C MET A 54 148.442 1.535 -1.392 1.00 0.56 C ATOM 876 O MET A 54 149.433 0.960 -1.798 1.00 0.57 O ATOM 877 CB MET A 54 146.934 1.089 0.573 1.00 0.68 C ATOM 878 CG MET A 54 147.260 -0.304 1.115 1.00 0.77 C ATOM 879 SD MET A 54 146.112 -0.713 2.453 1.00 1.40 S ATOM 880 CE MET A 54 147.309 -1.522 3.542 1.00 0.80 C ATOM 0 H MET A 54 147.076 3.474 0.704 1.00 0.59 H new ATOM 0 HA MET A 54 149.098 1.382 0.620 1.00 0.60 H new ATOM 0 HB2 MET A 54 146.453 1.688 1.346 1.00 0.68 H new ATOM 0 HB3 MET A 54 146.230 1.012 -0.255 1.00 0.68 H new ATOM 0 HG2 MET A 54 147.184 -1.043 0.318 1.00 0.77 H new ATOM 0 HG3 MET A 54 148.287 -0.333 1.480 1.00 0.77 H new ATOM 0 HE1 MET A 54 146.791 -1.938 4.406 1.00 0.80 H new ATOM 0 HE2 MET A 54 147.811 -2.323 2.999 1.00 0.80 H new ATOM 0 HE3 MET A 54 148.047 -0.793 3.877 1.00 0.80 H new ATOM 890 N ARG A 55 147.525 1.968 -2.216 1.00 0.56 N ATOM 891 CA ARG A 55 147.679 1.763 -3.688 1.00 0.56 C ATOM 892 C ARG A 55 149.127 2.015 -4.118 1.00 0.58 C ATOM 893 O ARG A 55 149.850 1.101 -4.462 1.00 0.58 O ATOM 894 CB ARG A 55 146.743 2.789 -4.330 1.00 0.60 C ATOM 895 CG ARG A 55 147.048 2.900 -5.825 1.00 1.27 C ATOM 896 CD ARG A 55 145.756 3.213 -6.582 1.00 1.63 C ATOM 897 NE ARG A 55 145.754 4.694 -6.739 1.00 1.73 N ATOM 898 CZ ARG A 55 145.730 5.222 -7.931 1.00 2.04 C ATOM 899 NH1 ARG A 55 144.634 5.186 -8.640 1.00 2.56 N ATOM 900 NH2 ARG A 55 146.802 5.785 -8.416 1.00 2.60 N ATOM 0 H ARG A 55 146.675 2.455 -1.934 1.00 0.56 H new ATOM 0 HA ARG A 55 147.437 0.743 -3.987 1.00 0.56 H new ATOM 0 HB2 ARG A 55 145.705 2.491 -4.182 1.00 0.60 H new ATOM 0 HB3 ARG A 55 146.868 3.760 -3.850 1.00 0.60 H new ATOM 0 HG2 ARG A 55 147.785 3.684 -6.000 1.00 1.27 H new ATOM 0 HG3 ARG A 55 147.480 1.968 -6.190 1.00 1.27 H new ATOM 0 HD2 ARG A 55 145.734 2.713 -7.550 1.00 1.63 H new ATOM 0 HD3 ARG A 55 144.881 2.873 -6.028 1.00 1.63 H new ATOM 0 HE ARG A 55 145.771 5.295 -5.915 1.00 1.73 H new ATOM 0 HH11 ARG A 55 143.796 4.745 -8.261 1.00 2.56 H new ATOM 0 HH12 ARG A 55 144.616 5.599 -9.572 1.00 2.56 H new ATOM 0 HH21 ARG A 55 147.659 5.812 -7.863 1.00 2.60 H new ATOM 0 HH22 ARG A 55 146.784 6.198 -9.348 1.00 2.60 H new ATOM 914 N ARG A 56 149.555 3.247 -4.107 1.00 0.66 N ATOM 915 CA ARG A 56 150.954 3.554 -4.520 1.00 0.71 C ATOM 916 C ARG A 56 151.942 2.652 -3.775 1.00 0.68 C ATOM 917 O ARG A 56 153.008 2.342 -4.269 1.00 0.67 O ATOM 918 CB ARG A 56 151.170 5.017 -4.134 1.00 0.83 C ATOM 919 CG ARG A 56 152.311 5.601 -4.969 1.00 1.14 C ATOM 920 CD ARG A 56 151.869 6.933 -5.581 1.00 1.31 C ATOM 921 NE ARG A 56 151.335 6.578 -6.926 1.00 1.33 N ATOM 922 CZ ARG A 56 151.051 7.519 -7.785 1.00 1.82 C ATOM 923 NH1 ARG A 56 151.448 8.743 -7.570 1.00 2.36 N ATOM 924 NH2 ARG A 56 150.369 7.234 -8.861 1.00 2.46 N ATOM 0 H ARG A 56 148.997 4.055 -3.830 1.00 0.66 H new ATOM 0 HA ARG A 56 151.113 3.384 -5.585 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.256 5.587 -4.299 1.00 0.83 H new ATOM 0 HB3 ARG A 56 151.406 5.093 -3.073 1.00 0.83 H new ATOM 0 HG2 ARG A 56 153.192 5.750 -4.345 1.00 1.14 H new ATOM 0 HG3 ARG A 56 152.593 4.903 -5.757 1.00 1.14 H new ATOM 0 HD2 ARG A 56 151.108 7.416 -4.968 1.00 1.31 H new ATOM 0 HD3 ARG A 56 152.704 7.629 -5.659 1.00 1.31 H new ATOM 0 HE ARG A 56 151.191 5.599 -7.176 1.00 1.33 H new ATOM 0 HH11 ARG A 56 151.981 8.966 -6.730 1.00 2.36 H new ATOM 0 HH12 ARG A 56 151.225 9.477 -8.242 1.00 2.36 H new ATOM 0 HH21 ARG A 56 150.059 6.277 -9.030 1.00 2.46 H new ATOM 0 HH22 ARG A 56 150.146 7.968 -9.533 1.00 2.46 H new ATOM 938 N LYS A 57 151.598 2.229 -2.589 1.00 0.72 N ATOM 939 CA LYS A 57 152.522 1.350 -1.815 1.00 0.75 C ATOM 940 C LYS A 57 152.576 -0.045 -2.443 1.00 0.71 C ATOM 941 O LYS A 57 153.618 -0.666 -2.511 1.00 0.71 O ATOM 942 CB LYS A 57 151.923 1.283 -0.410 1.00 0.83 C ATOM 943 CG LYS A 57 152.771 2.125 0.546 1.00 1.10 C ATOM 944 CD LYS A 57 153.814 1.234 1.226 1.00 1.27 C ATOM 945 CE LYS A 57 154.359 1.940 2.470 1.00 1.77 C ATOM 946 NZ LYS A 57 155.840 1.911 2.311 1.00 2.36 N ATOM 0 H LYS A 57 150.719 2.453 -2.123 1.00 0.72 H new ATOM 0 HA LYS A 57 153.543 1.733 -1.804 1.00 0.75 H new ATOM 0 HB2 LYS A 57 150.897 1.650 -0.423 1.00 0.83 H new ATOM 0 HB3 LYS A 57 151.887 0.249 -0.067 1.00 0.83 H new ATOM 0 HG2 LYS A 57 153.265 2.928 -0.001 1.00 1.10 H new ATOM 0 HG3 LYS A 57 152.134 2.594 1.296 1.00 1.10 H new ATOM 0 HD2 LYS A 57 153.366 0.280 1.504 1.00 1.27 H new ATOM 0 HD3 LYS A 57 154.627 1.015 0.534 1.00 1.27 H new ATOM 0 HE2 LYS A 57 153.989 2.963 2.537 1.00 1.77 H new ATOM 0 HE3 LYS A 57 154.050 1.429 3.382 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 156.286 2.377 3.127 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 156.164 0.924 2.257 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 156.105 2.411 1.439 1.00 2.36 H new ATOM 960 N VAL A 58 151.461 -0.543 -2.905 1.00 0.72 N ATOM 961 CA VAL A 58 151.453 -1.897 -3.528 1.00 0.73 C ATOM 962 C VAL A 58 152.279 -1.889 -4.818 1.00 0.68 C ATOM 963 O VAL A 58 153.094 -2.760 -5.050 1.00 0.68 O ATOM 964 CB VAL A 58 149.983 -2.184 -3.834 1.00 0.79 C ATOM 965 CG1 VAL A 58 149.868 -3.523 -4.564 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.193 -2.250 -2.525 1.00 1.36 C ATOM 0 H VAL A 58 150.557 -0.072 -2.878 1.00 0.72 H new ATOM 0 HA VAL A 58 151.888 -2.655 -2.876 1.00 0.73 H new ATOM 0 HB VAL A 58 149.581 -1.390 -4.463 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.820 -3.729 -4.783 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.432 -3.479 -5.496 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.270 -4.317 -3.934 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.145 -2.455 -2.743 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.595 -3.045 -1.897 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.276 -1.297 -2.002 1.00 1.36 H new ATOM 976 N HIS A 59 152.076 -0.910 -5.657 1.00 0.69 N ATOM 977 CA HIS A 59 152.849 -0.845 -6.931 1.00 0.67 C ATOM 978 C HIS A 59 154.352 -0.838 -6.639 1.00 0.61 C ATOM 979 O HIS A 59 155.079 -1.719 -7.053 1.00 0.61 O ATOM 980 CB HIS A 59 152.421 0.469 -7.583 1.00 0.71 C ATOM 981 CG HIS A 59 151.195 0.235 -8.421 1.00 1.06 C ATOM 982 ND1 HIS A 59 151.234 -0.487 -9.604 1.00 1.76 N ATOM 983 CD2 HIS A 59 149.887 0.623 -8.262 1.00 1.80 C ATOM 984 CE1 HIS A 59 149.986 -0.511 -10.106 1.00 2.09 C ATOM 985 NE2 HIS A 59 149.126 0.151 -9.327 1.00 2.12 N ATOM 0 H HIS A 59 151.408 -0.152 -5.516 1.00 0.69 H new ATOM 0 HA HIS A 59 152.658 -1.702 -7.576 1.00 0.67 H new ATOM 0 HB2 HIS A 59 152.214 1.217 -6.818 1.00 0.71 H new ATOM 0 HB3 HIS A 59 153.228 0.861 -8.202 1.00 0.71 H new ATOM 0 HD2 HIS A 59 149.507 1.206 -7.436 1.00 1.80 H new ATOM 0 HE1 HIS A 59 149.713 -1.005 -11.027 1.00 2.09 H new ATOM 0 HE2 HIS A 59 148.126 0.282 -9.480 1.00 2.12 H new ATOM 993 N THR A 60 154.824 0.149 -5.928 1.00 0.59 N ATOM 994 CA THR A 60 156.279 0.210 -5.608 1.00 0.56 C ATOM 995 C THR A 60 156.742 -1.117 -4.999 1.00 0.52 C ATOM 996 O THR A 60 157.595 -1.795 -5.538 1.00 0.51 O ATOM 997 CB THR A 60 156.413 1.343 -4.589 1.00 0.59 C ATOM 998 OG1 THR A 60 155.968 2.559 -5.174 1.00 1.35 O ATOM 999 CG2 THR A 60 157.876 1.482 -4.168 1.00 1.29 C ATOM 0 H THR A 60 154.265 0.916 -5.555 1.00 0.59 H new ATOM 0 HA THR A 60 156.890 0.384 -6.494 1.00 0.56 H new ATOM 0 HB THR A 60 155.805 1.118 -3.712 1.00 0.59 H new ATOM 0 HG1 THR A 60 155.012 2.678 -4.993 1.00 1.35 H new ATOM 0 HG21 THR A 60 157.971 2.290 -3.442 1.00 1.29 H new ATOM 0 HG22 THR A 60 158.216 0.549 -3.719 1.00 1.29 H new ATOM 0 HG23 THR A 60 158.486 1.707 -5.043 1.00 1.29 H new ATOM 1007 N LEU A 61 156.186 -1.492 -3.879 1.00 0.55 N ATOM 1008 CA LEU A 61 156.594 -2.774 -3.234 1.00 0.54 C ATOM 1009 C LEU A 61 156.735 -3.875 -4.288 1.00 0.53 C ATOM 1010 O LEU A 61 157.703 -4.610 -4.311 1.00 0.51 O ATOM 1011 CB LEU A 61 155.459 -3.108 -2.265 1.00 0.63 C ATOM 1012 CG LEU A 61 155.836 -2.651 -0.855 1.00 0.67 C ATOM 1013 CD1 LEU A 61 154.669 -2.918 0.097 1.00 0.76 C ATOM 1014 CD2 LEU A 61 157.067 -3.427 -0.379 1.00 0.80 C ATOM 0 H LEU A 61 155.467 -0.966 -3.382 1.00 0.55 H new ATOM 0 HA LEU A 61 157.555 -2.692 -2.727 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.539 -2.617 -2.583 1.00 0.63 H new ATOM 0 HB3 LEU A 61 155.266 -4.181 -2.271 1.00 0.63 H new ATOM 0 HG LEU A 61 156.060 -1.584 -0.867 1.00 0.67 H new ATOM 0 HD11 LEU A 61 154.937 -2.592 1.102 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.791 -2.367 -0.240 1.00 0.76 H new ATOM 0 HD13 LEU A 61 154.446 -3.985 0.109 1.00 0.76 H new ATOM 0 HD21 LEU A 61 157.336 -3.102 0.626 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.843 -4.494 -0.367 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.900 -3.239 -1.056 1.00 0.80 H new ATOM 1026 N GLN A 62 155.772 -3.997 -5.159 1.00 0.57 N ATOM 1027 CA GLN A 62 155.842 -5.052 -6.209 1.00 0.61 C ATOM 1028 C GLN A 62 157.116 -4.893 -7.044 1.00 0.59 C ATOM 1029 O GLN A 62 157.842 -5.841 -7.270 1.00 0.64 O ATOM 1030 CB GLN A 62 154.602 -4.827 -7.073 1.00 0.68 C ATOM 1031 CG GLN A 62 154.153 -6.158 -7.677 1.00 0.76 C ATOM 1032 CD GLN A 62 154.610 -6.239 -9.134 1.00 1.04 C ATOM 1033 OE1 GLN A 62 155.158 -5.293 -9.666 1.00 1.85 O ATOM 1034 NE2 GLN A 62 154.408 -7.338 -9.807 1.00 1.12 N ATOM 0 H GLN A 62 154.938 -3.411 -5.189 1.00 0.57 H new ATOM 0 HA GLN A 62 155.870 -6.055 -5.784 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.800 -4.399 -6.472 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.823 -4.112 -7.865 1.00 0.68 H new ATOM 0 HG2 GLN A 62 154.572 -6.987 -7.107 1.00 0.76 H new ATOM 0 HG3 GLN A 62 153.068 -6.248 -7.620 1.00 0.76 H new ATOM 0 HE21 GLN A 62 153.948 -8.132 -9.361 1.00 1.12 H new ATOM 0 HE22 GLN A 62 154.710 -7.403 -10.779 1.00 1.12 H new ATOM 1043 N GLN A 63 157.394 -3.705 -7.507 1.00 0.56 N ATOM 1044 CA GLN A 63 158.621 -3.495 -8.328 1.00 0.59 C ATOM 1045 C GLN A 63 159.842 -4.084 -7.615 1.00 0.56 C ATOM 1046 O GLN A 63 160.745 -4.605 -8.239 1.00 0.56 O ATOM 1047 CB GLN A 63 158.757 -1.978 -8.461 1.00 0.61 C ATOM 1048 CG GLN A 63 158.599 -1.579 -9.930 1.00 0.95 C ATOM 1049 CD GLN A 63 157.120 -1.339 -10.237 1.00 1.41 C ATOM 1050 OE1 GLN A 63 156.700 -0.214 -10.420 1.00 1.75 O ATOM 1051 NE2 GLN A 63 156.307 -2.358 -10.302 1.00 1.72 N ATOM 0 H GLN A 63 156.826 -2.872 -7.353 1.00 0.56 H new ATOM 0 HA GLN A 63 158.555 -3.984 -9.300 1.00 0.59 H new ATOM 0 HB2 GLN A 63 158.001 -1.480 -7.854 1.00 0.61 H new ATOM 0 HB3 GLN A 63 159.729 -1.655 -8.088 1.00 0.61 H new ATOM 0 HG2 GLN A 63 159.175 -0.677 -10.137 1.00 0.95 H new ATOM 0 HG3 GLN A 63 158.993 -2.364 -10.576 1.00 0.95 H new ATOM 0 HE21 GLN A 63 156.660 -3.303 -10.148 1.00 1.72 H new ATOM 0 HE22 GLN A 63 155.319 -2.210 -10.507 1.00 1.72 H new ATOM 1060 N ASP A 64 159.876 -4.006 -6.312 1.00 0.55 N ATOM 1061 CA ASP A 64 161.038 -4.563 -5.563 1.00 0.54 C ATOM 1062 C ASP A 64 160.994 -6.094 -5.582 1.00 0.50 C ATOM 1063 O ASP A 64 161.997 -6.757 -5.403 1.00 0.51 O ATOM 1064 CB ASP A 64 160.877 -4.040 -4.134 1.00 0.53 C ATOM 1065 CG ASP A 64 162.176 -4.266 -3.357 1.00 0.79 C ATOM 1066 OD1 ASP A 64 163.229 -4.205 -3.971 1.00 1.21 O ATOM 1067 OD2 ASP A 64 162.095 -4.496 -2.162 1.00 1.43 O ATOM 0 H ASP A 64 159.150 -3.581 -5.735 1.00 0.55 H new ATOM 0 HA ASP A 64 161.991 -4.267 -6.000 1.00 0.54 H new ATOM 0 HB2 ASP A 64 160.631 -2.978 -4.150 1.00 0.53 H new ATOM 0 HB3 ASP A 64 160.051 -4.552 -3.639 1.00 0.53 H new ATOM 1072 N ILE A 65 159.838 -6.661 -5.804 1.00 0.49 N ATOM 1073 CA ILE A 65 159.734 -8.151 -5.837 1.00 0.50 C ATOM 1074 C ILE A 65 160.121 -8.662 -7.227 1.00 0.54 C ATOM 1075 O ILE A 65 160.894 -9.589 -7.366 1.00 0.53 O ATOM 1076 CB ILE A 65 158.266 -8.495 -5.532 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.641 -7.436 -4.612 1.00 0.51 C ATOM 1078 CG2 ILE A 65 158.206 -9.858 -4.837 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.295 -7.941 -4.077 1.00 0.53 C ATOM 0 H ILE A 65 158.964 -6.160 -5.963 1.00 0.49 H new ATOM 0 HA ILE A 65 160.401 -8.615 -5.111 1.00 0.50 H new ATOM 0 HB ILE A 65 157.709 -8.520 -6.469 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.314 -7.219 -3.783 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.499 -6.504 -5.159 1.00 0.51 H new ATOM 0 HG21 ILE A 65 157.168 -10.109 -4.617 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.633 -10.619 -5.491 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.774 -9.818 -3.908 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.856 -7.186 -3.425 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.622 -8.135 -4.912 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.450 -8.861 -3.514 1.00 0.53 H new ATOM 1091 N ASP A 66 159.593 -8.059 -8.258 1.00 0.60 N ATOM 1092 CA ASP A 66 159.937 -8.507 -9.637 1.00 0.67 C ATOM 1093 C ASP A 66 161.452 -8.448 -9.838 1.00 0.62 C ATOM 1094 O ASP A 66 162.056 -9.362 -10.364 1.00 0.61 O ATOM 1095 CB ASP A 66 159.232 -7.516 -10.565 1.00 0.76 C ATOM 1096 CG ASP A 66 158.441 -8.284 -11.625 1.00 1.20 C ATOM 1097 OD1 ASP A 66 157.911 -9.333 -11.296 1.00 1.61 O ATOM 1098 OD2 ASP A 66 158.378 -7.811 -12.747 1.00 2.02 O ATOM 0 H ASP A 66 158.940 -7.277 -8.205 1.00 0.60 H new ATOM 0 HA ASP A 66 159.626 -9.533 -9.832 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.563 -6.876 -9.990 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.964 -6.865 -11.043 1.00 0.76 H new ATOM 1103 N ASP A 67 162.071 -7.380 -9.415 1.00 0.62 N ATOM 1104 CA ASP A 67 163.547 -7.262 -9.574 1.00 0.60 C ATOM 1105 C ASP A 67 164.248 -8.357 -8.766 1.00 0.54 C ATOM 1106 O ASP A 67 165.022 -9.130 -9.292 1.00 0.55 O ATOM 1107 CB ASP A 67 163.896 -5.879 -9.022 1.00 0.62 C ATOM 1108 CG ASP A 67 164.779 -5.138 -10.028 1.00 0.91 C ATOM 1109 OD1 ASP A 67 165.978 -5.359 -10.009 1.00 1.60 O ATOM 1110 OD2 ASP A 67 164.240 -4.362 -10.801 1.00 1.58 O ATOM 0 H ASP A 67 161.618 -6.584 -8.966 1.00 0.62 H new ATOM 0 HA ASP A 67 163.865 -7.376 -10.610 1.00 0.60 H new ATOM 0 HB2 ASP A 67 162.985 -5.310 -8.833 1.00 0.62 H new ATOM 0 HB3 ASP A 67 164.415 -5.976 -8.068 1.00 0.62 H new ATOM 1115 N LEU A 68 163.979 -8.431 -7.490 1.00 0.54 N ATOM 1116 CA LEU A 68 164.629 -9.479 -6.650 1.00 0.51 C ATOM 1117 C LEU A 68 164.267 -10.876 -7.167 1.00 0.52 C ATOM 1118 O LEU A 68 165.107 -11.746 -7.276 1.00 0.52 O ATOM 1119 CB LEU A 68 164.063 -9.267 -5.246 1.00 0.51 C ATOM 1120 CG LEU A 68 164.575 -7.942 -4.680 1.00 0.62 C ATOM 1121 CD1 LEU A 68 163.867 -7.643 -3.358 1.00 0.63 C ATOM 1122 CD2 LEU A 68 166.083 -8.044 -4.438 1.00 0.68 C ATOM 0 H LEU A 68 163.338 -7.812 -6.993 1.00 0.54 H new ATOM 0 HA LEU A 68 165.716 -9.406 -6.669 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.974 -9.263 -5.279 1.00 0.51 H new ATOM 0 HB3 LEU A 68 164.359 -10.090 -4.596 1.00 0.51 H new ATOM 0 HG LEU A 68 164.371 -7.140 -5.389 1.00 0.62 H new ATOM 0 HD11 LEU A 68 164.232 -6.698 -2.955 1.00 0.63 H new ATOM 0 HD12 LEU A 68 162.793 -7.573 -3.528 1.00 0.63 H new ATOM 0 HD13 LEU A 68 164.071 -8.444 -2.647 1.00 0.63 H new ATOM 0 HD21 LEU A 68 166.451 -7.101 -4.034 1.00 0.68 H new ATOM 0 HD22 LEU A 68 166.284 -8.846 -3.728 1.00 0.68 H new ATOM 0 HD23 LEU A 68 166.589 -8.258 -5.379 1.00 0.68 H new ATOM 1134 N LYS A 69 163.020 -11.097 -7.482 1.00 0.58 N ATOM 1135 CA LYS A 69 162.602 -12.437 -7.987 1.00 0.65 C ATOM 1136 C LYS A 69 163.540 -12.906 -9.104 1.00 0.62 C ATOM 1137 O LYS A 69 164.098 -13.984 -9.047 1.00 0.64 O ATOM 1138 CB LYS A 69 161.187 -12.233 -8.529 1.00 0.80 C ATOM 1139 CG LYS A 69 160.512 -13.592 -8.724 1.00 0.89 C ATOM 1140 CD LYS A 69 159.026 -13.387 -9.029 1.00 1.40 C ATOM 1141 CE LYS A 69 158.252 -13.254 -7.715 1.00 1.60 C ATOM 1142 NZ LYS A 69 156.910 -12.736 -8.106 1.00 2.20 N ATOM 0 H LYS A 69 162.272 -10.408 -7.412 1.00 0.58 H new ATOM 0 HA LYS A 69 162.637 -13.197 -7.207 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.606 -11.623 -7.837 1.00 0.80 H new ATOM 0 HB3 LYS A 69 161.223 -11.694 -9.476 1.00 0.80 H new ATOM 0 HG2 LYS A 69 160.990 -14.133 -9.540 1.00 0.89 H new ATOM 0 HG3 LYS A 69 160.629 -14.200 -7.827 1.00 0.89 H new ATOM 0 HD2 LYS A 69 158.888 -12.493 -9.637 1.00 1.40 H new ATOM 0 HD3 LYS A 69 158.642 -14.228 -9.607 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.171 -14.215 -7.206 1.00 1.60 H new ATOM 0 HE3 LYS A 69 158.754 -12.571 -7.029 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 156.322 -12.619 -7.256 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 157.018 -11.818 -8.582 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 156.453 -13.410 -8.753 1.00 2.20 H new ATOM 1156 N ARG A 70 163.714 -12.108 -10.121 1.00 0.63 N ATOM 1157 CA ARG A 70 164.611 -12.512 -11.243 1.00 0.65 C ATOM 1158 C ARG A 70 166.035 -12.736 -10.731 1.00 0.58 C ATOM 1159 O ARG A 70 166.715 -13.658 -11.138 1.00 0.58 O ATOM 1160 CB ARG A 70 164.573 -11.338 -12.222 1.00 0.73 C ATOM 1161 CG ARG A 70 164.538 -11.871 -13.655 1.00 1.29 C ATOM 1162 CD ARG A 70 163.222 -11.463 -14.320 1.00 1.30 C ATOM 1163 NE ARG A 70 163.541 -11.355 -15.771 1.00 1.67 N ATOM 1164 CZ ARG A 70 163.043 -12.216 -16.615 1.00 2.27 C ATOM 1165 NH1 ARG A 70 163.624 -13.372 -16.789 1.00 3.01 N ATOM 1166 NH2 ARG A 70 161.963 -11.921 -17.286 1.00 2.72 N ATOM 0 H ARG A 70 163.274 -11.193 -10.225 1.00 0.63 H new ATOM 0 HA ARG A 70 164.292 -13.444 -11.709 1.00 0.65 H new ATOM 0 HB2 ARG A 70 163.696 -10.719 -12.031 1.00 0.73 H new ATOM 0 HB3 ARG A 70 165.448 -10.703 -12.080 1.00 0.73 H new ATOM 0 HG2 ARG A 70 165.381 -11.477 -14.222 1.00 1.29 H new ATOM 0 HG3 ARG A 70 164.635 -12.957 -13.653 1.00 1.29 H new ATOM 0 HD2 ARG A 70 162.443 -12.204 -14.141 1.00 1.30 H new ATOM 0 HD3 ARG A 70 162.857 -10.515 -13.924 1.00 1.30 H new ATOM 0 HE ARG A 70 164.149 -10.607 -16.105 1.00 1.67 H new ATOM 0 HH11 ARG A 70 164.468 -13.603 -16.265 1.00 3.01 H new ATOM 0 HH12 ARG A 70 163.234 -14.045 -17.449 1.00 3.01 H new ATOM 0 HH21 ARG A 70 161.509 -11.018 -17.150 1.00 2.72 H new ATOM 0 HH22 ARG A 70 161.573 -12.594 -17.946 1.00 2.72 H new ATOM 1180 N GLN A 71 166.492 -11.898 -9.844 1.00 0.52 N ATOM 1181 CA GLN A 71 167.872 -12.057 -9.308 1.00 0.49 C ATOM 1182 C GLN A 71 168.101 -13.496 -8.830 1.00 0.45 C ATOM 1183 O GLN A 71 168.679 -14.302 -9.531 1.00 0.48 O ATOM 1184 CB GLN A 71 167.954 -11.073 -8.142 1.00 0.45 C ATOM 1185 CG GLN A 71 167.897 -9.641 -8.679 1.00 0.80 C ATOM 1186 CD GLN A 71 169.205 -9.315 -9.401 1.00 0.99 C ATOM 1187 OE1 GLN A 71 170.085 -10.147 -9.493 1.00 1.89 O ATOM 1188 NE2 GLN A 71 169.371 -8.129 -9.921 1.00 1.51 N ATOM 0 H GLN A 71 165.969 -11.108 -9.466 1.00 0.52 H new ATOM 0 HA GLN A 71 168.635 -11.859 -10.061 1.00 0.49 H new ATOM 0 HB2 GLN A 71 167.132 -11.246 -7.448 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.878 -11.228 -7.586 1.00 0.45 H new ATOM 0 HG2 GLN A 71 167.055 -9.531 -9.362 1.00 0.80 H new ATOM 0 HG3 GLN A 71 167.737 -8.940 -7.860 1.00 0.80 H new ATOM 0 HE21 GLN A 71 168.632 -7.430 -9.844 1.00 1.51 H new ATOM 0 HE22 GLN A 71 170.240 -7.901 -10.405 1.00 1.51 H new ATOM 1197 N ASN A 72 167.661 -13.827 -7.643 1.00 0.42 N ATOM 1198 CA ASN A 72 167.868 -15.215 -7.134 1.00 0.42 C ATOM 1199 C ASN A 72 167.596 -16.235 -8.245 1.00 0.49 C ATOM 1200 O ASN A 72 168.144 -17.319 -8.248 1.00 0.54 O ATOM 1201 CB ASN A 72 166.878 -15.384 -5.978 1.00 0.44 C ATOM 1202 CG ASN A 72 165.533 -14.758 -6.344 1.00 0.54 C ATOM 1203 OD1 ASN A 72 165.235 -13.652 -5.939 1.00 0.96 O ATOM 1204 ND2 ASN A 72 164.700 -15.423 -7.094 1.00 0.71 N ATOM 0 H ASN A 72 167.170 -13.199 -7.007 1.00 0.42 H new ATOM 0 HA ASN A 72 168.893 -15.379 -6.803 1.00 0.42 H new ATOM 0 HB2 ASN A 72 166.746 -16.442 -5.753 1.00 0.44 H new ATOM 0 HB3 ASN A 72 167.274 -14.914 -5.078 1.00 0.44 H new ATOM 0 HD21 ASN A 72 163.798 -15.015 -7.341 1.00 0.71 H new ATOM 0 HD22 ASN A 72 164.950 -16.352 -7.434 1.00 0.71 H new ATOM 1211 N ALA A 73 166.768 -15.896 -9.196 1.00 0.53 N ATOM 1212 CA ALA A 73 166.486 -16.851 -10.306 1.00 0.61 C ATOM 1213 C ALA A 73 167.786 -17.180 -11.043 1.00 0.58 C ATOM 1214 O ALA A 73 168.252 -18.303 -11.033 1.00 0.60 O ATOM 1215 CB ALA A 73 165.515 -16.115 -11.230 1.00 0.69 C ATOM 0 H ALA A 73 166.277 -15.004 -9.253 1.00 0.53 H new ATOM 0 HA ALA A 73 166.067 -17.793 -9.951 1.00 0.61 H new ATOM 0 HB1 ALA A 73 165.260 -16.756 -12.074 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.609 -15.862 -10.679 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.983 -15.202 -11.597 1.00 0.69 H new ATOM 1221 N LEU A 74 168.381 -16.204 -11.672 1.00 0.56 N ATOM 1222 CA LEU A 74 169.658 -16.454 -12.398 1.00 0.57 C ATOM 1223 C LEU A 74 170.811 -16.528 -11.395 1.00 0.51 C ATOM 1224 O LEU A 74 171.819 -17.165 -11.633 1.00 0.56 O ATOM 1225 CB LEU A 74 169.826 -15.252 -13.328 1.00 0.62 C ATOM 1226 CG LEU A 74 169.714 -13.960 -12.516 1.00 1.10 C ATOM 1227 CD1 LEU A 74 171.034 -13.190 -12.592 1.00 1.69 C ATOM 1228 CD2 LEU A 74 168.587 -13.096 -13.085 1.00 1.84 C ATOM 0 H LEU A 74 168.038 -15.244 -11.715 1.00 0.56 H new ATOM 0 HA LEU A 74 169.651 -17.393 -12.952 1.00 0.57 H new ATOM 0 HB2 LEU A 74 170.794 -15.298 -13.828 1.00 0.62 H new ATOM 0 HB3 LEU A 74 169.064 -15.272 -14.107 1.00 0.62 H new ATOM 0 HG LEU A 74 169.496 -14.204 -11.476 1.00 1.10 H new ATOM 0 HD11 LEU A 74 170.952 -12.270 -12.013 1.00 1.69 H new ATOM 0 HD12 LEU A 74 171.838 -13.804 -12.186 1.00 1.69 H new ATOM 0 HD13 LEU A 74 171.254 -12.946 -13.631 1.00 1.69 H new ATOM 0 HD21 LEU A 74 168.507 -12.175 -12.507 1.00 1.84 H new ATOM 0 HD22 LEU A 74 168.804 -12.853 -14.125 1.00 1.84 H new ATOM 0 HD23 LEU A 74 167.646 -13.643 -13.029 1.00 1.84 H new ATOM 1240 N LEU A 75 170.662 -15.887 -10.266 1.00 0.44 N ATOM 1241 CA LEU A 75 171.738 -15.922 -9.238 1.00 0.40 C ATOM 1242 C LEU A 75 171.988 -17.366 -8.801 1.00 0.41 C ATOM 1243 O LEU A 75 173.112 -17.823 -8.738 1.00 0.44 O ATOM 1244 CB LEU A 75 171.188 -15.103 -8.072 1.00 0.38 C ATOM 1245 CG LEU A 75 171.763 -13.687 -8.112 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.672 -12.692 -7.724 1.00 0.45 C ATOM 1247 CD2 LEU A 75 172.923 -13.574 -7.121 1.00 0.54 C ATOM 0 H LEU A 75 169.839 -15.340 -10.013 1.00 0.44 H new ATOM 0 HA LEU A 75 172.684 -15.526 -9.607 1.00 0.40 H new ATOM 0 HB2 LEU A 75 170.100 -15.064 -8.125 1.00 0.38 H new ATOM 0 HB3 LEU A 75 171.444 -15.582 -7.127 1.00 0.38 H new ATOM 0 HG LEU A 75 172.123 -13.470 -9.118 1.00 0.46 H new ATOM 0 HD11 LEU A 75 171.076 -11.680 -7.751 1.00 0.45 H new ATOM 0 HD12 LEU A 75 169.842 -12.770 -8.426 1.00 0.45 H new ATOM 0 HD13 LEU A 75 170.318 -12.915 -6.718 1.00 0.45 H new ATOM 0 HD21 LEU A 75 173.331 -12.564 -7.152 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.564 -13.790 -6.115 1.00 0.54 H new ATOM 0 HD23 LEU A 75 173.702 -14.288 -7.389 1.00 0.54 H new ATOM 1259 N GLU A 76 170.941 -18.087 -8.503 1.00 0.43 N ATOM 1260 CA GLU A 76 171.106 -19.504 -8.073 1.00 0.47 C ATOM 1261 C GLU A 76 171.497 -20.369 -9.272 1.00 0.51 C ATOM 1262 O GLU A 76 172.237 -21.325 -9.147 1.00 0.57 O ATOM 1263 CB GLU A 76 169.734 -19.917 -7.539 1.00 0.53 C ATOM 1264 CG GLU A 76 169.786 -21.368 -7.058 1.00 0.65 C ATOM 1265 CD GLU A 76 168.364 -21.919 -6.945 1.00 0.78 C ATOM 1266 OE1 GLU A 76 167.444 -21.209 -7.318 1.00 1.65 O ATOM 1267 OE2 GLU A 76 168.218 -23.041 -6.489 1.00 0.92 O ATOM 0 H GLU A 76 169.977 -17.755 -8.539 1.00 0.43 H new ATOM 0 HA GLU A 76 171.887 -19.624 -7.322 1.00 0.47 H new ATOM 0 HB2 GLU A 76 169.439 -19.262 -6.719 1.00 0.53 H new ATOM 0 HB3 GLU A 76 168.981 -19.809 -8.320 1.00 0.53 H new ATOM 0 HG2 GLU A 76 170.367 -21.972 -7.754 1.00 0.65 H new ATOM 0 HG3 GLU A 76 170.287 -21.424 -6.092 1.00 0.65 H new ATOM 1274 N GLN A 77 171.009 -20.035 -10.436 1.00 0.51 N ATOM 1275 CA GLN A 77 171.356 -20.832 -11.646 1.00 0.58 C ATOM 1276 C GLN A 77 172.873 -20.835 -11.853 1.00 0.58 C ATOM 1277 O GLN A 77 173.409 -21.641 -12.590 1.00 0.63 O ATOM 1278 CB GLN A 77 170.658 -20.117 -12.804 1.00 0.62 C ATOM 1279 CG GLN A 77 169.181 -20.518 -12.839 1.00 0.74 C ATOM 1280 CD GLN A 77 168.866 -21.181 -14.181 1.00 1.26 C ATOM 1281 OE1 GLN A 77 169.685 -21.184 -15.077 1.00 1.80 O ATOM 1282 NE2 GLN A 77 167.704 -21.750 -14.357 1.00 1.88 N ATOM 0 H GLN A 77 170.385 -19.245 -10.601 1.00 0.51 H new ATOM 0 HA GLN A 77 171.042 -21.873 -11.563 1.00 0.58 H new ATOM 0 HB2 GLN A 77 170.749 -19.037 -12.686 1.00 0.62 H new ATOM 0 HB3 GLN A 77 171.138 -20.377 -13.747 1.00 0.62 H new ATOM 0 HG2 GLN A 77 168.960 -21.204 -12.021 1.00 0.74 H new ATOM 0 HG3 GLN A 77 168.551 -19.640 -12.698 1.00 0.74 H new ATOM 0 HE21 GLN A 77 167.016 -21.748 -13.604 1.00 1.88 H new ATOM 0 HE22 GLN A 77 167.485 -22.197 -15.247 1.00 1.88 H new ATOM 1291 N GLN A 78 173.572 -19.957 -11.187 1.00 0.59 N ATOM 1292 CA GLN A 78 175.053 -19.924 -11.327 1.00 0.64 C ATOM 1293 C GLN A 78 175.654 -20.491 -10.053 1.00 0.60 C ATOM 1294 O GLN A 78 176.638 -21.203 -10.066 1.00 0.63 O ATOM 1295 CB GLN A 78 175.413 -18.446 -11.491 1.00 0.69 C ATOM 1296 CG GLN A 78 176.925 -18.307 -11.678 1.00 0.67 C ATOM 1297 CD GLN A 78 177.228 -17.928 -13.128 1.00 0.83 C ATOM 1298 OE1 GLN A 78 176.917 -16.836 -13.561 1.00 1.37 O ATOM 1299 NE2 GLN A 78 177.826 -18.790 -13.904 1.00 1.56 N ATOM 0 H GLN A 78 173.180 -19.261 -10.552 1.00 0.59 H new ATOM 0 HA GLN A 78 175.425 -20.506 -12.170 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.889 -18.026 -12.350 1.00 0.69 H new ATOM 0 HB3 GLN A 78 175.091 -17.883 -10.615 1.00 0.69 H new ATOM 0 HG2 GLN A 78 177.317 -17.546 -11.003 1.00 0.67 H new ATOM 0 HG3 GLN A 78 177.421 -19.244 -11.425 1.00 0.67 H new ATOM 0 HE21 GLN A 78 178.088 -19.707 -13.542 1.00 1.56 H new ATOM 0 HE22 GLN A 78 178.032 -18.547 -14.873 1.00 1.56 H new ATOM 1308 N VAL A 79 175.030 -20.197 -8.952 1.00 0.59 N ATOM 1309 CA VAL A 79 175.504 -20.725 -7.653 1.00 0.60 C ATOM 1310 C VAL A 79 175.325 -22.249 -7.645 1.00 0.63 C ATOM 1311 O VAL A 79 175.923 -22.954 -6.857 1.00 0.68 O ATOM 1312 CB VAL A 79 174.602 -20.020 -6.627 1.00 0.64 C ATOM 1313 CG1 VAL A 79 174.161 -20.990 -5.533 1.00 0.73 C ATOM 1314 CG2 VAL A 79 175.375 -18.863 -5.991 1.00 0.72 C ATOM 0 H VAL A 79 174.201 -19.605 -8.898 1.00 0.59 H new ATOM 0 HA VAL A 79 176.558 -20.542 -7.442 1.00 0.60 H new ATOM 0 HB VAL A 79 173.715 -19.647 -7.140 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.524 -20.468 -4.819 1.00 0.73 H new ATOM 0 HG12 VAL A 79 173.605 -21.814 -5.980 1.00 0.73 H new ATOM 0 HG13 VAL A 79 175.039 -21.381 -5.018 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.741 -18.359 -5.262 1.00 0.72 H new ATOM 0 HG22 VAL A 79 176.264 -19.250 -5.492 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.672 -18.155 -6.765 1.00 0.72 H new ATOM 1324 N ARG A 80 174.509 -22.756 -8.531 1.00 0.67 N ATOM 1325 CA ARG A 80 174.290 -24.229 -8.595 1.00 0.78 C ATOM 1326 C ARG A 80 174.939 -24.797 -9.860 1.00 0.81 C ATOM 1327 O ARG A 80 175.296 -25.957 -9.919 1.00 0.90 O ATOM 1328 CB ARG A 80 172.770 -24.409 -8.636 1.00 0.89 C ATOM 1329 CG ARG A 80 172.242 -24.037 -10.024 1.00 1.02 C ATOM 1330 CD ARG A 80 171.929 -25.312 -10.812 1.00 1.66 C ATOM 1331 NE ARG A 80 170.586 -25.075 -11.412 1.00 1.98 N ATOM 1332 CZ ARG A 80 169.581 -25.844 -11.090 1.00 2.33 C ATOM 1333 NH1 ARG A 80 169.633 -27.125 -11.335 1.00 2.85 N ATOM 1334 NH2 ARG A 80 168.523 -25.331 -10.523 1.00 2.76 N ATOM 0 H ARG A 80 173.984 -22.211 -9.215 1.00 0.67 H new ATOM 0 HA ARG A 80 174.732 -24.752 -7.747 1.00 0.78 H new ATOM 0 HB2 ARG A 80 172.510 -25.442 -8.403 1.00 0.89 H new ATOM 0 HB3 ARG A 80 172.300 -23.783 -7.878 1.00 0.89 H new ATOM 0 HG2 ARG A 80 171.345 -23.425 -9.931 1.00 1.02 H new ATOM 0 HG3 ARG A 80 172.981 -23.440 -10.558 1.00 1.02 H new ATOM 0 HD2 ARG A 80 172.679 -25.494 -11.582 1.00 1.66 H new ATOM 0 HD3 ARG A 80 171.922 -26.186 -10.161 1.00 1.66 H new ATOM 0 HE ARG A 80 170.452 -24.311 -12.075 1.00 1.98 H new ATOM 0 HH11 ARG A 80 170.459 -27.526 -11.778 1.00 2.85 H new ATOM 0 HH12 ARG A 80 168.847 -27.725 -11.083 1.00 2.85 H new ATOM 0 HH21 ARG A 80 168.482 -24.330 -10.332 1.00 2.76 H new ATOM 0 HH22 ARG A 80 167.738 -25.931 -10.271 1.00 2.76 H new ATOM 1348 N ALA A 81 175.100 -23.986 -10.872 1.00 0.82 N ATOM 1349 CA ALA A 81 175.733 -24.481 -12.129 1.00 0.96 C ATOM 1350 C ALA A 81 177.196 -24.029 -12.195 1.00 0.96 C ATOM 1351 O ALA A 81 177.813 -24.042 -13.242 1.00 1.23 O ATOM 1352 CB ALA A 81 174.922 -23.844 -13.258 1.00 1.04 C ATOM 0 H ALA A 81 174.821 -23.005 -10.883 1.00 0.82 H new ATOM 0 HA ALA A 81 175.733 -25.569 -12.193 1.00 0.96 H new ATOM 0 HB1 ALA A 81 175.326 -24.160 -14.220 1.00 1.04 H new ATOM 0 HB2 ALA A 81 173.881 -24.159 -13.181 1.00 1.04 H new ATOM 0 HB3 ALA A 81 174.979 -22.758 -13.179 1.00 1.04 H new ATOM 1358 N LEU A 82 177.754 -23.627 -11.084 1.00 0.83 N ATOM 1359 CA LEU A 82 179.175 -23.172 -11.081 1.00 0.86 C ATOM 1360 C LEU A 82 179.772 -23.312 -9.675 1.00 0.74 C ATOM 1361 O LEU A 82 180.599 -22.528 -9.258 1.00 1.11 O ATOM 1362 CB LEU A 82 179.112 -21.698 -11.512 1.00 1.10 C ATOM 1363 CG LEU A 82 180.520 -21.119 -11.761 1.00 1.32 C ATOM 1364 CD1 LEU A 82 180.994 -20.365 -10.517 1.00 1.68 C ATOM 1365 CD2 LEU A 82 181.521 -22.235 -12.090 1.00 1.67 C ATOM 0 H LEU A 82 177.287 -23.594 -10.178 1.00 0.83 H new ATOM 0 HA LEU A 82 179.808 -23.761 -11.745 1.00 0.86 H new ATOM 0 HB2 LEU A 82 178.515 -21.609 -12.420 1.00 1.10 H new ATOM 0 HB3 LEU A 82 178.609 -21.114 -10.741 1.00 1.10 H new ATOM 0 HG LEU A 82 180.465 -20.438 -12.610 1.00 1.32 H new ATOM 0 HD11 LEU A 82 181.989 -19.957 -10.696 1.00 1.68 H new ATOM 0 HD12 LEU A 82 180.302 -19.551 -10.299 1.00 1.68 H new ATOM 0 HD13 LEU A 82 181.029 -21.049 -9.669 1.00 1.68 H new ATOM 0 HD21 LEU A 82 182.506 -21.801 -12.261 1.00 1.67 H new ATOM 0 HD22 LEU A 82 181.573 -22.935 -11.256 1.00 1.67 H new ATOM 0 HD23 LEU A 82 181.196 -22.763 -12.987 1.00 1.67 H new ATOM 1377 N GLU A 83 179.360 -24.307 -8.939 1.00 0.89 N ATOM 1378 CA GLU A 83 179.910 -24.488 -7.564 1.00 0.79 C ATOM 1379 C GLU A 83 181.361 -24.975 -7.634 1.00 0.87 C ATOM 1380 O GLU A 83 181.957 -25.031 -8.691 1.00 1.43 O ATOM 1381 CB GLU A 83 179.020 -25.546 -6.915 1.00 0.94 C ATOM 1382 CG GLU A 83 178.539 -25.042 -5.553 1.00 1.03 C ATOM 1383 CD GLU A 83 177.809 -26.168 -4.819 1.00 1.40 C ATOM 1384 OE1 GLU A 83 177.155 -26.955 -5.483 1.00 1.86 O ATOM 1385 OE2 GLU A 83 177.917 -26.224 -3.604 1.00 1.90 O ATOM 0 H GLU A 83 178.670 -25.000 -9.227 1.00 0.89 H new ATOM 0 HA GLU A 83 179.915 -23.557 -6.996 1.00 0.79 H new ATOM 0 HB2 GLU A 83 178.166 -25.762 -7.557 1.00 0.94 H new ATOM 0 HB3 GLU A 83 179.573 -26.478 -6.795 1.00 0.94 H new ATOM 0 HG2 GLU A 83 179.387 -24.698 -4.961 1.00 1.03 H new ATOM 0 HG3 GLU A 83 177.874 -24.188 -5.684 1.00 1.03 H new ATOM 1392 N GLY A 84 181.932 -25.329 -6.515 1.00 0.96 N ATOM 1393 CA GLY A 84 183.342 -25.813 -6.519 1.00 1.08 C ATOM 1394 C GLY A 84 184.255 -24.744 -5.913 1.00 1.16 C ATOM 1395 O GLY A 84 183.807 -23.851 -5.221 1.00 1.64 O ATOM 0 H GLY A 84 181.484 -25.304 -5.599 1.00 0.96 H new ATOM 0 HA2 GLY A 84 183.421 -26.738 -5.949 1.00 1.08 H new ATOM 0 HA3 GLY A 84 183.656 -26.039 -7.538 1.00 1.08 H new ATOM 1399 N SER A 85 185.532 -24.830 -6.167 1.00 1.24 N ATOM 1400 CA SER A 85 186.476 -23.820 -5.606 1.00 1.67 C ATOM 1401 C SER A 85 186.685 -22.678 -6.606 1.00 1.55 C ATOM 1402 O SER A 85 186.888 -22.901 -7.783 1.00 1.96 O ATOM 1403 CB SER A 85 187.783 -24.580 -5.384 1.00 2.27 C ATOM 1404 OG SER A 85 187.526 -25.737 -4.599 1.00 2.58 O ATOM 0 H SER A 85 185.963 -25.556 -6.739 1.00 1.24 H new ATOM 0 HA SER A 85 186.102 -23.373 -4.685 1.00 1.67 H new ATOM 0 HB2 SER A 85 188.218 -24.866 -6.342 1.00 2.27 H new ATOM 0 HB3 SER A 85 188.509 -23.940 -4.882 1.00 2.27 H new ATOM 0 HG SER A 85 188.362 -26.228 -4.456 1.00 2.58 H new ATOM 1410 N GLY A 86 186.637 -21.458 -6.146 1.00 1.70 N ATOM 1411 CA GLY A 86 186.833 -20.305 -7.071 1.00 1.62 C ATOM 1412 C GLY A 86 188.017 -20.587 -7.998 1.00 1.41 C ATOM 1413 O GLY A 86 189.162 -20.420 -7.627 1.00 1.62 O ATOM 0 H GLY A 86 186.471 -21.209 -5.171 1.00 1.70 H new ATOM 0 HA2 GLY A 86 185.930 -20.139 -7.658 1.00 1.62 H new ATOM 0 HA3 GLY A 86 187.014 -19.394 -6.500 1.00 1.62 H new ATOM 1417 N CYS A 87 187.750 -21.012 -9.203 1.00 1.60 N ATOM 1418 CA CYS A 87 188.862 -21.304 -10.153 1.00 1.63 C ATOM 1419 C CYS A 87 188.969 -20.192 -11.201 1.00 1.76 C ATOM 1420 O CYS A 87 188.637 -19.064 -10.874 1.00 2.10 O ATOM 1421 CB CYS A 87 188.483 -22.632 -10.811 1.00 1.80 C ATOM 1422 SG CYS A 87 189.623 -23.924 -10.253 1.00 2.10 S ATOM 1423 OXT CYS A 87 189.381 -20.488 -12.310 1.00 2.16 O ATOM 0 H CYS A 87 186.812 -21.170 -9.571 1.00 1.60 H new ATOM 0 HA CYS A 87 189.829 -21.360 -9.653 1.00 1.63 H new ATOM 0 HB2 CYS A 87 187.458 -22.899 -10.553 1.00 1.80 H new ATOM 0 HB3 CYS A 87 188.525 -22.538 -11.896 1.00 1.80 H new TER 1428 CYS A 87 ATOM 1429 N MET B 1 112.643 40.544 6.287 1.00 2.38 N ATOM 1430 CA MET B 1 113.384 41.134 5.135 1.00 2.00 C ATOM 1431 C MET B 1 114.808 40.573 5.076 1.00 1.66 C ATOM 1432 O MET B 1 115.566 40.678 6.020 1.00 2.10 O ATOM 1433 CB MET B 1 113.409 42.637 5.412 1.00 2.12 C ATOM 1434 CG MET B 1 113.545 43.396 4.092 1.00 2.07 C ATOM 1435 SD MET B 1 111.936 43.459 3.266 1.00 2.72 S ATOM 1436 CE MET B 1 112.089 45.135 2.603 1.00 2.97 C ATOM 0 H1 MET B 1 111.679 40.933 6.315 1.00 2.38 H new ATOM 0 H2 MET B 1 112.597 39.511 6.177 1.00 2.38 H new ATOM 0 H3 MET B 1 113.136 40.776 7.173 1.00 2.38 H new ATOM 0 HA MET B 1 112.915 40.903 4.179 1.00 2.00 H new ATOM 0 HB2 MET B 1 112.496 42.938 5.925 1.00 2.12 H new ATOM 0 HB3 MET B 1 114.241 42.882 6.072 1.00 2.12 H new ATOM 0 HG2 MET B 1 113.911 44.406 4.277 1.00 2.07 H new ATOM 0 HG3 MET B 1 114.276 42.904 3.451 1.00 2.07 H new ATOM 0 HE1 MET B 1 111.188 45.389 2.044 1.00 2.97 H new ATOM 0 HE2 MET B 1 112.218 45.841 3.424 1.00 2.97 H new ATOM 0 HE3 MET B 1 112.953 45.187 1.941 1.00 2.97 H new ATOM 1448 N ALA B 2 115.178 39.981 3.974 1.00 1.37 N ATOM 1449 CA ALA B 2 116.554 39.419 3.856 1.00 1.25 C ATOM 1450 C ALA B 2 117.587 40.549 3.897 1.00 1.17 C ATOM 1451 O ALA B 2 117.831 41.215 2.911 1.00 1.49 O ATOM 1452 CB ALA B 2 116.579 38.714 2.499 1.00 1.62 C ATOM 0 H ALA B 2 114.588 39.862 3.151 1.00 1.37 H new ATOM 0 HA ALA B 2 116.796 38.737 4.671 1.00 1.25 H new ATOM 0 HB1 ALA B 2 117.562 38.272 2.336 1.00 1.62 H new ATOM 0 HB2 ALA B 2 115.822 37.930 2.482 1.00 1.62 H new ATOM 0 HB3 ALA B 2 116.371 39.436 1.710 1.00 1.62 H new ATOM 1458 N ASP B 3 118.190 40.774 5.033 1.00 1.24 N ATOM 1459 CA ASP B 3 119.202 41.865 5.136 1.00 1.38 C ATOM 1460 C ASP B 3 120.619 41.289 5.078 1.00 1.25 C ATOM 1461 O ASP B 3 121.557 41.962 4.699 1.00 1.36 O ATOM 1462 CB ASP B 3 118.944 42.515 6.497 1.00 1.82 C ATOM 1463 CG ASP B 3 119.721 43.830 6.589 1.00 2.15 C ATOM 1464 OD1 ASP B 3 120.923 43.802 6.381 1.00 2.89 O ATOM 1465 OD2 ASP B 3 119.101 44.843 6.868 1.00 2.39 O ATOM 0 H ASP B 3 118.026 40.251 5.893 1.00 1.24 H new ATOM 0 HA ASP B 3 119.120 42.580 4.317 1.00 1.38 H new ATOM 0 HB2 ASP B 3 117.878 42.700 6.627 1.00 1.82 H new ATOM 0 HB3 ASP B 3 119.251 41.842 7.298 1.00 1.82 H new ATOM 1470 N LYS B 4 120.785 40.049 5.452 1.00 1.22 N ATOM 1471 CA LYS B 4 122.145 39.439 5.417 1.00 1.21 C ATOM 1472 C LYS B 4 122.165 38.236 4.470 1.00 1.14 C ATOM 1473 O LYS B 4 121.268 37.417 4.472 1.00 1.36 O ATOM 1474 CB LYS B 4 122.416 38.995 6.855 1.00 1.37 C ATOM 1475 CG LYS B 4 121.558 37.772 7.184 1.00 1.70 C ATOM 1476 CD LYS B 4 121.798 37.353 8.635 1.00 1.52 C ATOM 1477 CE LYS B 4 120.695 36.389 9.078 1.00 2.06 C ATOM 1478 NZ LYS B 4 120.440 36.723 10.508 1.00 2.41 N ATOM 0 H LYS B 4 120.040 39.434 5.779 1.00 1.22 H new ATOM 0 HA LYS B 4 122.900 40.137 5.056 1.00 1.21 H new ATOM 0 HB2 LYS B 4 123.472 38.755 6.980 1.00 1.37 H new ATOM 0 HB3 LYS B 4 122.190 39.807 7.546 1.00 1.37 H new ATOM 0 HG2 LYS B 4 120.504 38.003 7.031 1.00 1.70 H new ATOM 0 HG3 LYS B 4 121.805 36.950 6.512 1.00 1.70 H new ATOM 0 HD2 LYS B 4 122.773 36.875 8.730 1.00 1.52 H new ATOM 0 HD3 LYS B 4 121.809 38.231 9.281 1.00 1.52 H new ATOM 0 HE2 LYS B 4 119.795 36.516 8.477 1.00 2.06 H new ATOM 0 HE3 LYS B 4 121.009 35.351 8.965 1.00 2.06 H new ATOM 0 HZ1 LYS B 4 119.694 36.102 10.882 1.00 2.41 H new ATOM 0 HZ2 LYS B 4 121.312 36.586 11.057 1.00 2.41 H new ATOM 0 HZ3 LYS B 4 120.135 37.715 10.584 1.00 2.41 H new ATOM 1492 N ARG B 5 123.182 38.126 3.659 1.00 0.99 N ATOM 1493 CA ARG B 5 123.261 36.977 2.710 1.00 0.97 C ATOM 1494 C ARG B 5 124.723 36.642 2.405 1.00 1.07 C ATOM 1495 O ARG B 5 125.213 36.891 1.321 1.00 1.44 O ATOM 1496 CB ARG B 5 122.547 37.459 1.447 1.00 0.97 C ATOM 1497 CG ARG B 5 121.558 36.390 0.978 1.00 1.02 C ATOM 1498 CD ARG B 5 120.674 36.965 -0.131 1.00 1.13 C ATOM 1499 NE ARG B 5 119.960 35.789 -0.701 1.00 1.39 N ATOM 1500 CZ ARG B 5 119.227 35.927 -1.771 1.00 1.71 C ATOM 1501 NH1 ARG B 5 119.383 36.971 -2.539 1.00 2.32 N ATOM 1502 NH2 ARG B 5 118.336 35.022 -2.073 1.00 2.27 N ATOM 0 H ARG B 5 123.962 38.782 3.612 1.00 0.99 H new ATOM 0 HA ARG B 5 122.807 36.073 3.116 1.00 0.97 H new ATOM 0 HB2 ARG B 5 122.021 38.392 1.648 1.00 0.97 H new ATOM 0 HB3 ARG B 5 123.274 37.666 0.662 1.00 0.97 H new ATOM 0 HG2 ARG B 5 122.097 35.516 0.612 1.00 1.02 H new ATOM 0 HG3 ARG B 5 120.942 36.058 1.813 1.00 1.02 H new ATOM 0 HD2 ARG B 5 119.972 37.700 0.264 1.00 1.13 H new ATOM 0 HD3 ARG B 5 121.271 37.471 -0.890 1.00 1.13 H new ATOM 0 HE ARG B 5 120.044 34.876 -0.255 1.00 1.39 H new ATOM 0 HH11 ARG B 5 120.078 37.679 -2.302 1.00 2.32 H new ATOM 0 HH12 ARG B 5 118.810 37.079 -3.376 1.00 2.32 H new ATOM 0 HH21 ARG B 5 118.213 34.207 -1.472 1.00 2.27 H new ATOM 0 HH22 ARG B 5 117.763 35.130 -2.910 1.00 2.27 H new ATOM 1516 N ALA B 6 125.424 36.080 3.352 1.00 1.17 N ATOM 1517 CA ALA B 6 126.855 35.730 3.114 1.00 1.27 C ATOM 1518 C ALA B 6 126.967 34.692 1.994 1.00 1.25 C ATOM 1519 O ALA B 6 126.101 34.581 1.148 1.00 1.58 O ATOM 1520 CB ALA B 6 127.345 35.145 4.439 1.00 1.40 C ATOM 0 H ALA B 6 125.069 35.848 4.280 1.00 1.17 H new ATOM 0 HA ALA B 6 127.446 36.593 2.806 1.00 1.27 H new ATOM 0 HB1 ALA B 6 128.393 34.862 4.346 1.00 1.40 H new ATOM 0 HB2 ALA B 6 127.239 35.890 5.227 1.00 1.40 H new ATOM 0 HB3 ALA B 6 126.752 34.265 4.690 1.00 1.40 H new ATOM 1526 N HIS B 7 128.027 33.931 1.981 1.00 1.41 N ATOM 1527 CA HIS B 7 128.193 32.901 0.915 1.00 1.46 C ATOM 1528 C HIS B 7 127.654 31.549 1.394 1.00 1.45 C ATOM 1529 O HIS B 7 128.288 30.857 2.166 1.00 2.02 O ATOM 1530 CB HIS B 7 129.701 32.821 0.674 1.00 1.54 C ATOM 1531 CG HIS B 7 130.073 33.699 -0.489 1.00 1.54 C ATOM 1532 ND1 HIS B 7 129.504 33.546 -1.743 1.00 1.72 N ATOM 1533 CD2 HIS B 7 130.957 34.744 -0.604 1.00 1.99 C ATOM 1534 CE1 HIS B 7 130.047 34.475 -2.551 1.00 1.87 C ATOM 1535 NE2 HIS B 7 130.938 35.232 -1.907 1.00 2.05 N ATOM 0 H HIS B 7 128.785 33.977 2.662 1.00 1.41 H new ATOM 0 HA HIS B 7 127.647 33.156 0.007 1.00 1.46 H new ATOM 0 HB2 HIS B 7 130.240 33.136 1.568 1.00 1.54 H new ATOM 0 HB3 HIS B 7 129.993 31.790 0.473 1.00 1.54 H new ATOM 0 HD2 HIS B 7 131.573 35.128 0.195 1.00 1.99 H new ATOM 0 HE1 HIS B 7 129.793 34.594 -3.594 1.00 1.87 H new ATOM 0 HE2 HIS B 7 131.487 36.003 -2.288 1.00 2.05 H new ATOM 1543 N HIS B 8 126.490 31.169 0.941 1.00 1.26 N ATOM 1544 CA HIS B 8 125.912 29.862 1.371 1.00 1.35 C ATOM 1545 C HIS B 8 126.126 29.655 2.873 1.00 1.37 C ATOM 1546 O HIS B 8 126.998 28.920 3.291 1.00 1.93 O ATOM 1547 CB HIS B 8 126.678 28.808 0.570 1.00 1.42 C ATOM 1548 CG HIS B 8 126.405 28.998 -0.897 1.00 1.86 C ATOM 1549 ND1 HIS B 8 125.700 29.956 -1.582 1.00 1.93 N flip ATOM 1550 CD2 HIS B 8 126.889 28.125 -1.859 1.00 2.73 C flip ATOM 1551 CE1 HIS B 8 125.744 29.684 -2.947 1.00 2.73 C flip ATOM 1552 NE2 HIS B 8 126.473 28.570 -3.058 1.00 3.23 N flip ATOM 0 H HIS B 8 125.914 31.706 0.292 1.00 1.26 H new ATOM 0 HA HIS B 8 124.838 29.808 1.194 1.00 1.35 H new ATOM 0 HB2 HIS B 8 127.747 28.893 0.766 1.00 1.42 H new ATOM 0 HB3 HIS B 8 126.375 27.808 0.881 1.00 1.42 H new ATOM 0 HD2 HIS B 8 127.491 27.247 -1.678 1.00 2.73 H new ATOM 0 HE1 HIS B 8 125.287 30.251 -3.744 1.00 2.73 H new ATOM 0 HE2 HIS B 8 126.688 28.113 -3.944 1.00 3.23 H new ATOM 1560 N ASN B 9 125.335 30.299 3.688 1.00 1.07 N ATOM 1561 CA ASN B 9 125.493 30.139 5.163 1.00 1.20 C ATOM 1562 C ASN B 9 125.393 28.660 5.547 1.00 1.25 C ATOM 1563 O ASN B 9 124.696 27.892 4.914 1.00 1.55 O ATOM 1564 CB ASN B 9 124.337 30.933 5.773 1.00 1.29 C ATOM 1565 CG ASN B 9 124.621 31.194 7.254 1.00 1.51 C ATOM 1566 OD1 ASN B 9 125.691 30.891 7.742 1.00 2.01 O ATOM 1567 ND2 ASN B 9 123.699 31.746 7.995 1.00 1.85 N ATOM 0 H ASN B 9 124.587 30.928 3.397 1.00 1.07 H new ATOM 0 HA ASN B 9 126.461 30.493 5.517 1.00 1.20 H new ATOM 0 HB2 ASN B 9 124.212 31.878 5.244 1.00 1.29 H new ATOM 0 HB3 ASN B 9 123.404 30.380 5.663 1.00 1.29 H new ATOM 0 HD21 ASN B 9 123.877 31.923 8.984 1.00 1.85 H new ATOM 0 HD22 ASN B 9 122.800 32.001 7.585 1.00 1.85 H new ATOM 1574 N ALA B 10 126.082 28.254 6.579 1.00 1.41 N ATOM 1575 CA ALA B 10 126.022 26.824 6.997 1.00 1.57 C ATOM 1576 C ALA B 10 126.490 26.672 8.447 1.00 1.56 C ATOM 1577 O ALA B 10 127.662 26.786 8.746 1.00 1.79 O ATOM 1578 CB ALA B 10 126.972 26.095 6.047 1.00 1.76 C ATOM 0 H ALA B 10 126.683 28.849 7.150 1.00 1.41 H new ATOM 0 HA ALA B 10 125.009 26.423 6.950 1.00 1.57 H new ATOM 0 HB1 ALA B 10 126.985 25.032 6.290 1.00 1.76 H new ATOM 0 HB2 ALA B 10 126.633 26.229 5.020 1.00 1.76 H new ATOM 0 HB3 ALA B 10 127.977 26.503 6.153 1.00 1.76 H new ATOM 1584 N LEU B 11 125.583 26.412 9.350 1.00 1.49 N ATOM 1585 CA LEU B 11 125.979 26.250 10.779 1.00 1.59 C ATOM 1586 C LEU B 11 125.527 24.884 11.302 1.00 1.73 C ATOM 1587 O LEU B 11 126.012 24.402 12.306 1.00 1.92 O ATOM 1588 CB LEU B 11 125.263 27.378 11.522 1.00 1.64 C ATOM 1589 CG LEU B 11 123.751 27.172 11.437 1.00 1.68 C ATOM 1590 CD1 LEU B 11 123.190 26.942 12.842 1.00 2.19 C ATOM 1591 CD2 LEU B 11 123.104 28.418 10.827 1.00 1.74 C ATOM 0 H LEU B 11 124.586 26.305 9.160 1.00 1.49 H new ATOM 0 HA LEU B 11 127.059 26.298 10.916 1.00 1.59 H new ATOM 0 HB2 LEU B 11 125.579 27.398 12.565 1.00 1.64 H new ATOM 0 HB3 LEU B 11 125.534 28.341 11.089 1.00 1.64 H new ATOM 0 HG LEU B 11 123.534 26.305 10.813 1.00 1.68 H new ATOM 0 HD11 LEU B 11 122.112 26.795 12.784 1.00 2.19 H new ATOM 0 HD12 LEU B 11 123.654 26.058 13.279 1.00 2.19 H new ATOM 0 HD13 LEU B 11 123.405 27.810 13.466 1.00 2.19 H new ATOM 0 HD21 LEU B 11 122.025 28.274 10.765 1.00 1.74 H new ATOM 0 HD22 LEU B 11 123.319 29.284 11.454 1.00 1.74 H new ATOM 0 HD23 LEU B 11 123.506 28.584 9.828 1.00 1.74 H new ATOM 1603 N GLU B 12 124.605 24.254 10.627 1.00 1.78 N ATOM 1604 CA GLU B 12 124.128 22.916 11.083 1.00 1.98 C ATOM 1605 C GLU B 12 124.597 21.834 10.105 1.00 2.10 C ATOM 1606 O GLU B 12 123.908 21.491 9.165 1.00 2.31 O ATOM 1607 CB GLU B 12 122.602 23.018 11.088 1.00 2.04 C ATOM 1608 CG GLU B 12 122.001 21.631 11.326 1.00 2.17 C ATOM 1609 CD GLU B 12 120.711 21.762 12.138 1.00 2.60 C ATOM 1610 OE1 GLU B 12 120.796 21.752 13.355 1.00 2.87 O ATOM 1611 OE2 GLU B 12 119.659 21.867 11.529 1.00 3.16 O ATOM 0 H GLU B 12 124.161 24.607 9.779 1.00 1.78 H new ATOM 0 HA GLU B 12 124.516 22.647 12.065 1.00 1.98 H new ATOM 0 HB2 GLU B 12 122.275 23.707 11.867 1.00 2.04 H new ATOM 0 HB3 GLU B 12 122.250 23.421 10.138 1.00 2.04 H new ATOM 0 HG2 GLU B 12 121.794 21.145 10.373 1.00 2.17 H new ATOM 0 HG3 GLU B 12 122.714 21.001 11.857 1.00 2.17 H new ATOM 1618 N ARG B 13 125.771 21.299 10.315 1.00 2.12 N ATOM 1619 CA ARG B 13 126.293 20.246 9.394 1.00 2.32 C ATOM 1620 C ARG B 13 125.646 18.891 9.701 1.00 2.34 C ATOM 1621 O ARG B 13 125.436 18.080 8.821 1.00 2.55 O ATOM 1622 CB ARG B 13 127.798 20.202 9.662 1.00 2.51 C ATOM 1623 CG ARG B 13 128.484 21.339 8.899 1.00 2.71 C ATOM 1624 CD ARG B 13 129.244 22.235 9.881 1.00 2.80 C ATOM 1625 NE ARG B 13 130.035 23.163 9.022 1.00 3.13 N ATOM 1626 CZ ARG B 13 130.533 24.259 9.529 1.00 3.55 C ATOM 1627 NH1 ARG B 13 131.425 24.193 10.479 1.00 3.87 N ATOM 1628 NH2 ARG B 13 130.140 25.422 9.084 1.00 4.15 N ATOM 0 H ARG B 13 126.392 21.546 11.086 1.00 2.12 H new ATOM 0 HA ARG B 13 126.070 20.465 8.350 1.00 2.32 H new ATOM 0 HB2 ARG B 13 127.991 20.298 10.730 1.00 2.51 H new ATOM 0 HB3 ARG B 13 128.206 19.241 9.349 1.00 2.51 H new ATOM 0 HG2 ARG B 13 129.171 20.930 8.158 1.00 2.71 H new ATOM 0 HG3 ARG B 13 127.742 21.925 8.356 1.00 2.71 H new ATOM 0 HD2 ARG B 13 128.558 22.783 10.527 1.00 2.80 H new ATOM 0 HD3 ARG B 13 129.893 21.648 10.530 1.00 2.80 H new ATOM 0 HE ARG B 13 130.187 22.942 8.038 1.00 3.13 H new ATOM 0 HH11 ARG B 13 131.734 23.285 10.826 1.00 3.87 H new ATOM 0 HH12 ARG B 13 131.813 25.049 10.874 1.00 3.87 H new ATOM 0 HH21 ARG B 13 129.444 25.475 8.340 1.00 4.15 H new ATOM 0 HH22 ARG B 13 130.529 26.278 9.480 1.00 4.15 H new ATOM 1642 N LYS B 14 125.325 18.642 10.941 1.00 2.31 N ATOM 1643 CA LYS B 14 124.687 17.342 11.303 1.00 2.44 C ATOM 1644 C LYS B 14 125.430 16.174 10.648 1.00 2.47 C ATOM 1645 O LYS B 14 126.638 16.184 10.522 1.00 2.70 O ATOM 1646 CB LYS B 14 123.260 17.439 10.763 1.00 2.89 C ATOM 1647 CG LYS B 14 122.304 16.729 11.723 1.00 3.00 C ATOM 1648 CD LYS B 14 121.864 17.704 12.817 1.00 3.49 C ATOM 1649 CE LYS B 14 122.455 17.264 14.157 1.00 3.86 C ATOM 1650 NZ LYS B 14 121.276 16.981 15.022 1.00 4.63 N ATOM 0 H LYS B 14 125.477 19.282 11.720 1.00 2.31 H new ATOM 0 HA LYS B 14 124.709 17.162 12.378 1.00 2.44 H new ATOM 0 HB2 LYS B 14 122.972 18.484 10.652 1.00 2.89 H new ATOM 0 HB3 LYS B 14 123.202 16.986 9.773 1.00 2.89 H new ATOM 0 HG2 LYS B 14 121.435 16.358 11.180 1.00 3.00 H new ATOM 0 HG3 LYS B 14 122.795 15.863 12.168 1.00 3.00 H new ATOM 0 HD2 LYS B 14 122.196 18.714 12.575 1.00 3.49 H new ATOM 0 HD3 LYS B 14 120.776 17.732 12.878 1.00 3.49 H new ATOM 0 HE2 LYS B 14 123.081 16.379 14.041 1.00 3.86 H new ATOM 0 HE3 LYS B 14 123.082 18.045 14.587 1.00 3.86 H new ATOM 0 HZ1 LYS B 14 121.600 16.673 15.961 1.00 4.63 H new ATOM 0 HZ2 LYS B 14 120.702 17.843 15.120 1.00 4.63 H new ATOM 0 HZ3 LYS B 14 120.701 16.229 14.590 1.00 4.63 H new ATOM 1664 N ARG B 15 124.713 15.164 10.235 1.00 2.82 N ATOM 1665 CA ARG B 15 125.373 13.992 9.594 1.00 3.02 C ATOM 1666 C ARG B 15 125.079 13.976 8.092 1.00 2.87 C ATOM 1667 O ARG B 15 124.740 12.955 7.527 1.00 3.17 O ATOM 1668 CB ARG B 15 124.751 12.773 10.274 1.00 3.56 C ATOM 1669 CG ARG B 15 123.272 12.676 9.891 1.00 3.80 C ATOM 1670 CD ARG B 15 122.408 12.762 11.152 1.00 3.90 C ATOM 1671 NE ARG B 15 121.858 11.390 11.339 1.00 4.16 N ATOM 1672 CZ ARG B 15 121.058 11.137 12.341 1.00 4.40 C ATOM 1673 NH1 ARG B 15 120.505 12.118 12.999 1.00 4.92 N ATOM 1674 NH2 ARG B 15 120.811 9.901 12.683 1.00 4.50 N ATOM 0 H ARG B 15 123.698 15.100 10.314 1.00 2.82 H new ATOM 0 HA ARG B 15 126.457 14.014 9.704 1.00 3.02 H new ATOM 0 HB2 ARG B 15 125.276 11.867 9.972 1.00 3.56 H new ATOM 0 HB3 ARG B 15 124.853 12.855 11.356 1.00 3.56 H new ATOM 0 HG2 ARG B 15 123.011 13.480 9.203 1.00 3.80 H new ATOM 0 HG3 ARG B 15 123.081 11.737 9.371 1.00 3.80 H new ATOM 0 HD2 ARG B 15 122.999 13.071 12.014 1.00 3.90 H new ATOM 0 HD3 ARG B 15 121.609 13.494 11.034 1.00 3.90 H new ATOM 0 HE ARG B 15 122.106 10.648 10.685 1.00 4.16 H new ATOM 0 HH11 ARG B 15 120.697 13.083 12.732 1.00 4.92 H new ATOM 0 HH12 ARG B 15 119.881 11.920 13.781 1.00 4.92 H new ATOM 0 HH21 ARG B 15 121.242 9.133 12.168 1.00 4.50 H new ATOM 0 HH22 ARG B 15 120.187 9.703 13.465 1.00 4.50 H new ATOM 1688 N ARG B 16 125.206 15.099 7.441 1.00 2.73 N ATOM 1689 CA ARG B 16 124.932 15.144 5.976 1.00 2.75 C ATOM 1690 C ARG B 16 125.898 16.108 5.284 1.00 2.72 C ATOM 1691 O ARG B 16 125.492 17.062 4.651 1.00 2.68 O ATOM 1692 CB ARG B 16 123.495 15.648 5.856 1.00 2.58 C ATOM 1693 CG ARG B 16 123.415 17.089 6.363 1.00 2.93 C ATOM 1694 CD ARG B 16 122.570 17.924 5.399 1.00 3.11 C ATOM 1695 NE ARG B 16 121.594 18.634 6.270 1.00 3.15 N ATOM 1696 CZ ARG B 16 121.362 19.904 6.091 1.00 3.32 C ATOM 1697 NH1 ARG B 16 120.523 20.291 5.170 1.00 3.85 N ATOM 1698 NH2 ARG B 16 121.970 20.789 6.834 1.00 3.40 N ATOM 0 H ARG B 16 125.487 15.986 7.858 1.00 2.73 H new ATOM 0 HA ARG B 16 125.064 14.171 5.503 1.00 2.75 H new ATOM 0 HB2 ARG B 16 123.166 15.598 4.818 1.00 2.58 H new ATOM 0 HB3 ARG B 16 122.825 15.010 6.433 1.00 2.58 H new ATOM 0 HG2 ARG B 16 122.976 17.111 7.360 1.00 2.93 H new ATOM 0 HG3 ARG B 16 124.416 17.512 6.446 1.00 2.93 H new ATOM 0 HD2 ARG B 16 123.187 18.628 4.840 1.00 3.11 H new ATOM 0 HD3 ARG B 16 122.063 17.293 4.668 1.00 3.11 H new ATOM 0 HE ARG B 16 121.106 18.126 7.008 1.00 3.15 H new ATOM 0 HH11 ARG B 16 120.048 19.600 4.590 1.00 3.85 H new ATOM 0 HH12 ARG B 16 120.342 21.285 5.030 1.00 3.85 H new ATOM 0 HH21 ARG B 16 122.626 20.486 7.554 1.00 3.40 H new ATOM 0 HH22 ARG B 16 121.789 21.783 6.694 1.00 3.40 H new ATOM 1712 N ASP B 17 127.175 15.866 5.399 1.00 3.23 N ATOM 1713 CA ASP B 17 128.165 16.770 4.747 1.00 3.39 C ATOM 1714 C ASP B 17 129.593 16.300 5.045 1.00 2.78 C ATOM 1715 O ASP B 17 130.498 16.493 4.257 1.00 3.13 O ATOM 1716 CB ASP B 17 127.914 18.143 5.371 1.00 3.99 C ATOM 1717 CG ASP B 17 128.080 19.229 4.306 1.00 4.92 C ATOM 1718 OD1 ASP B 17 128.086 18.887 3.135 1.00 5.59 O ATOM 1719 OD2 ASP B 17 128.198 20.384 4.681 1.00 5.23 O ATOM 0 H ASP B 17 127.575 15.083 5.915 1.00 3.23 H new ATOM 0 HA ASP B 17 128.057 16.786 3.662 1.00 3.39 H new ATOM 0 HB2 ASP B 17 126.910 18.184 5.793 1.00 3.99 H new ATOM 0 HB3 ASP B 17 128.611 18.314 6.191 1.00 3.99 H new ATOM 1724 N HIS B 18 129.799 15.689 6.180 1.00 2.41 N ATOM 1725 CA HIS B 18 131.167 15.211 6.536 1.00 2.11 C ATOM 1726 C HIS B 18 131.652 14.168 5.522 1.00 1.64 C ATOM 1727 O HIS B 18 132.602 14.393 4.792 1.00 1.93 O ATOM 1728 CB HIS B 18 131.016 14.589 7.927 1.00 2.43 C ATOM 1729 CG HIS B 18 130.955 15.680 8.964 1.00 2.97 C ATOM 1730 ND1 HIS B 18 132.053 16.466 9.280 1.00 3.47 N ATOM 1731 CD2 HIS B 18 129.934 16.122 9.770 1.00 3.61 C ATOM 1732 CE1 HIS B 18 131.671 17.329 10.240 1.00 4.12 C ATOM 1733 NE2 HIS B 18 130.389 17.163 10.575 1.00 4.22 N ATOM 0 H HIS B 18 129.079 15.500 6.877 1.00 2.41 H new ATOM 0 HA HIS B 18 131.902 16.016 6.527 1.00 2.11 H new ATOM 0 HB2 HIS B 18 130.111 13.982 7.969 1.00 2.43 H new ATOM 0 HB3 HIS B 18 131.855 13.924 8.132 1.00 2.43 H new ATOM 0 HD2 HIS B 18 128.931 15.723 9.778 1.00 3.61 H new ATOM 0 HE1 HIS B 18 132.322 18.066 10.685 1.00 4.12 H new ATOM 0 HE2 HIS B 18 129.857 17.686 11.271 1.00 4.22 H new ATOM 1741 N ILE B 19 131.020 13.027 5.465 1.00 1.19 N ATOM 1742 CA ILE B 19 131.477 11.999 4.492 1.00 1.05 C ATOM 1743 C ILE B 19 131.594 12.615 3.099 1.00 0.94 C ATOM 1744 O ILE B 19 132.580 12.425 2.428 1.00 0.95 O ATOM 1745 CB ILE B 19 130.437 10.875 4.514 1.00 1.28 C ATOM 1746 CG1 ILE B 19 129.023 11.432 4.380 1.00 1.91 C ATOM 1747 CG2 ILE B 19 130.550 10.104 5.829 1.00 1.51 C ATOM 1748 CD1 ILE B 19 128.038 10.264 4.450 1.00 1.99 C ATOM 0 H ILE B 19 130.220 12.766 6.041 1.00 1.19 H new ATOM 0 HA ILE B 19 132.460 11.609 4.755 1.00 1.05 H new ATOM 0 HB ILE B 19 130.631 10.213 3.670 1.00 1.28 H new ATOM 0 HG12 ILE B 19 128.820 12.148 5.176 1.00 1.91 H new ATOM 0 HG13 ILE B 19 128.913 11.965 3.436 1.00 1.91 H new ATOM 0 HG21 ILE B 19 129.810 9.304 5.846 1.00 1.51 H new ATOM 0 HG22 ILE B 19 131.549 9.677 5.916 1.00 1.51 H new ATOM 0 HG23 ILE B 19 130.371 10.781 6.664 1.00 1.51 H new ATOM 0 HD11 ILE B 19 127.020 10.641 4.356 1.00 1.99 H new ATOM 0 HD12 ILE B 19 128.243 9.566 3.638 1.00 1.99 H new ATOM 0 HD13 ILE B 19 128.149 9.752 5.406 1.00 1.99 H new ATOM 1760 N LYS B 20 130.610 13.363 2.663 1.00 0.98 N ATOM 1761 CA LYS B 20 130.703 13.991 1.308 1.00 1.01 C ATOM 1762 C LYS B 20 132.120 14.516 1.083 1.00 0.95 C ATOM 1763 O LYS B 20 132.807 14.097 0.172 1.00 0.98 O ATOM 1764 CB LYS B 20 129.708 15.149 1.318 1.00 1.24 C ATOM 1765 CG LYS B 20 128.288 14.605 1.471 1.00 1.39 C ATOM 1766 CD LYS B 20 127.291 15.617 0.905 1.00 1.83 C ATOM 1767 CE LYS B 20 127.659 15.944 -0.543 1.00 2.31 C ATOM 1768 NZ LYS B 20 126.407 16.487 -1.137 1.00 2.83 N ATOM 0 H LYS B 20 129.755 13.565 3.181 1.00 0.98 H new ATOM 0 HA LYS B 20 130.481 13.281 0.512 1.00 1.01 H new ATOM 0 HB2 LYS B 20 129.937 15.831 2.137 1.00 1.24 H new ATOM 0 HB3 LYS B 20 129.791 15.721 0.394 1.00 1.24 H new ATOM 0 HG2 LYS B 20 128.193 13.653 0.948 1.00 1.39 H new ATOM 0 HG3 LYS B 20 128.072 14.414 2.522 1.00 1.39 H new ATOM 0 HD2 LYS B 20 126.280 15.212 0.951 1.00 1.83 H new ATOM 0 HD3 LYS B 20 127.298 16.526 1.507 1.00 1.83 H new ATOM 0 HE2 LYS B 20 128.469 16.672 -0.591 1.00 2.31 H new ATOM 0 HE3 LYS B 20 127.997 15.055 -1.076 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 126.575 16.737 -2.133 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 125.657 15.769 -1.082 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 126.113 17.335 -0.612 1.00 2.83 H new ATOM 1782 N ASP B 21 132.573 15.414 1.917 1.00 0.95 N ATOM 1783 CA ASP B 21 133.957 15.936 1.754 1.00 1.01 C ATOM 1784 C ASP B 21 134.890 14.756 1.489 1.00 0.99 C ATOM 1785 O ASP B 21 135.702 14.773 0.580 1.00 1.03 O ATOM 1786 CB ASP B 21 134.290 16.608 3.088 1.00 1.16 C ATOM 1787 CG ASP B 21 133.356 17.801 3.304 1.00 2.09 C ATOM 1788 OD1 ASP B 21 132.867 18.330 2.319 1.00 2.72 O ATOM 1789 OD2 ASP B 21 133.146 18.164 4.450 1.00 2.71 O ATOM 0 H ASP B 21 132.047 15.805 2.698 1.00 0.95 H new ATOM 0 HA ASP B 21 134.061 16.637 0.926 1.00 1.01 H new ATOM 0 HB2 ASP B 21 134.181 15.894 3.904 1.00 1.16 H new ATOM 0 HB3 ASP B 21 135.328 16.940 3.091 1.00 1.16 H new ATOM 1794 N SER B 22 134.753 13.715 2.264 1.00 1.00 N ATOM 1795 CA SER B 22 135.603 12.512 2.051 1.00 1.09 C ATOM 1796 C SER B 22 135.172 11.810 0.761 1.00 1.00 C ATOM 1797 O SER B 22 135.986 11.475 -0.075 1.00 1.03 O ATOM 1798 CB SER B 22 135.340 11.625 3.263 1.00 1.27 C ATOM 1799 OG SER B 22 136.498 10.845 3.531 1.00 1.82 O ATOM 0 H SER B 22 134.089 13.647 3.035 1.00 1.00 H new ATOM 0 HA SER B 22 136.662 12.752 1.953 1.00 1.09 H new ATOM 0 HB2 SER B 22 135.091 12.237 4.130 1.00 1.27 H new ATOM 0 HB3 SER B 22 134.485 10.976 3.075 1.00 1.27 H new ATOM 0 HG SER B 22 137.005 11.253 4.264 1.00 1.82 H new ATOM 1805 N PHE B 23 133.892 11.604 0.588 1.00 0.95 N ATOM 1806 CA PHE B 23 133.405 10.948 -0.654 1.00 0.96 C ATOM 1807 C PHE B 23 134.136 11.555 -1.848 1.00 0.86 C ATOM 1808 O PHE B 23 134.926 10.907 -2.501 1.00 0.89 O ATOM 1809 CB PHE B 23 131.916 11.294 -0.743 1.00 1.07 C ATOM 1810 CG PHE B 23 131.057 10.389 0.123 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.541 9.179 0.651 1.00 1.52 C ATOM 1812 CD2 PHE B 23 129.735 10.771 0.379 1.00 1.34 C ATOM 1813 CE1 PHE B 23 130.695 8.380 1.432 1.00 1.62 C ATOM 1814 CE2 PHE B 23 128.903 9.967 1.157 1.00 1.35 C ATOM 1815 CZ PHE B 23 129.381 8.774 1.683 1.00 1.03 C ATOM 0 H PHE B 23 133.166 11.863 1.255 1.00 0.95 H new ATOM 0 HA PHE B 23 133.573 9.871 -0.649 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.768 12.330 -0.439 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.589 11.216 -1.780 1.00 1.07 H new ATOM 0 HD1 PHE B 23 132.557 8.868 0.456 1.00 1.52 H new ATOM 0 HD2 PHE B 23 129.356 11.696 -0.030 1.00 1.34 H new ATOM 0 HE1 PHE B 23 131.064 7.452 1.843 1.00 1.62 H new ATOM 0 HE2 PHE B 23 127.885 10.272 1.351 1.00 1.35 H new ATOM 0 HZ PHE B 23 128.736 8.152 2.286 1.00 1.03 H new ATOM 1825 N HIS B 24 133.877 12.808 -2.129 1.00 0.84 N ATOM 1826 CA HIS B 24 134.558 13.476 -3.276 1.00 0.88 C ATOM 1827 C HIS B 24 136.026 13.052 -3.326 1.00 0.86 C ATOM 1828 O HIS B 24 136.505 12.564 -4.330 1.00 0.87 O ATOM 1829 CB HIS B 24 134.436 14.973 -2.995 1.00 0.97 C ATOM 1830 CG HIS B 24 133.022 15.415 -3.254 1.00 1.36 C ATOM 1831 ND1 HIS B 24 132.063 15.448 -2.254 1.00 2.01 N ATOM 1832 CD2 HIS B 24 132.390 15.846 -4.394 1.00 1.95 C ATOM 1833 CE1 HIS B 24 130.917 15.887 -2.806 1.00 2.41 C ATOM 1834 NE2 HIS B 24 131.061 16.143 -4.109 1.00 2.34 N ATOM 0 H HIS B 24 133.223 13.396 -1.612 1.00 0.84 H new ATOM 0 HA HIS B 24 134.116 13.210 -4.236 1.00 0.88 H new ATOM 0 HB2 HIS B 24 134.711 15.184 -1.962 1.00 0.97 H new ATOM 0 HB3 HIS B 24 135.125 15.531 -3.629 1.00 0.97 H new ATOM 0 HD1 HIS B 24 132.201 15.187 -1.278 1.00 2.01 H new ATOM 0 HD2 HIS B 24 132.854 15.940 -5.365 1.00 1.95 H new ATOM 0 HE1 HIS B 24 129.993 16.017 -2.262 1.00 2.41 H new ATOM 1842 N SER B 25 136.743 13.217 -2.246 1.00 0.95 N ATOM 1843 CA SER B 25 138.174 12.799 -2.246 1.00 1.05 C ATOM 1844 C SER B 25 138.263 11.290 -2.493 1.00 0.93 C ATOM 1845 O SER B 25 139.141 10.812 -3.184 1.00 0.96 O ATOM 1846 CB SER B 25 138.694 13.148 -0.853 1.00 1.27 C ATOM 1847 OG SER B 25 139.800 14.034 -0.973 1.00 1.36 O ATOM 0 H SER B 25 136.403 13.619 -1.372 1.00 0.95 H new ATOM 0 HA SER B 25 138.756 13.293 -3.024 1.00 1.05 H new ATOM 0 HB2 SER B 25 137.904 13.612 -0.263 1.00 1.27 H new ATOM 0 HB3 SER B 25 138.994 12.242 -0.327 1.00 1.27 H new ATOM 0 HG SER B 25 140.135 14.261 -0.081 1.00 1.36 H new ATOM 1853 N LEU B 26 137.347 10.542 -1.939 1.00 0.92 N ATOM 1854 CA LEU B 26 137.356 9.064 -2.141 1.00 0.96 C ATOM 1855 C LEU B 26 136.989 8.742 -3.594 1.00 0.85 C ATOM 1856 O LEU B 26 137.688 8.015 -4.286 1.00 0.86 O ATOM 1857 CB LEU B 26 136.288 8.542 -1.178 1.00 1.12 C ATOM 1858 CG LEU B 26 136.960 7.833 -0.002 1.00 1.31 C ATOM 1859 CD1 LEU B 26 136.392 8.376 1.310 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.690 6.330 -0.084 1.00 1.63 C ATOM 0 H LEU B 26 136.590 10.893 -1.353 1.00 0.92 H new ATOM 0 HA LEU B 26 138.329 8.611 -1.952 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.676 9.368 -0.816 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.621 7.854 -1.697 1.00 1.12 H new ATOM 0 HG LEU B 26 138.035 8.011 -0.040 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.870 7.872 2.150 1.00 1.52 H new ATOM 0 HD12 LEU B 26 136.583 9.447 1.374 1.00 1.52 H new ATOM 0 HD13 LEU B 26 135.317 8.197 1.343 1.00 1.52 H new ATOM 0 HD21 LEU B 26 137.170 5.828 0.756 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.615 6.151 -0.047 1.00 1.63 H new ATOM 0 HD23 LEU B 26 137.091 5.939 -1.019 1.00 1.63 H new ATOM 1872 N ARG B 27 135.904 9.292 -4.070 1.00 0.86 N ATOM 1873 CA ARG B 27 135.502 9.043 -5.478 1.00 0.93 C ATOM 1874 C ARG B 27 136.702 9.314 -6.381 1.00 0.86 C ATOM 1875 O ARG B 27 136.936 8.624 -7.354 1.00 0.96 O ATOM 1876 CB ARG B 27 134.382 10.049 -5.750 1.00 1.07 C ATOM 1877 CG ARG B 27 133.345 9.428 -6.688 1.00 1.09 C ATOM 1878 CD ARG B 27 132.412 10.524 -7.208 1.00 1.11 C ATOM 1879 NE ARG B 27 131.224 9.801 -7.738 1.00 1.55 N ATOM 1880 CZ ARG B 27 130.070 10.406 -7.808 1.00 1.93 C ATOM 1881 NH1 ARG B 27 129.884 11.360 -8.678 1.00 2.34 N ATOM 1882 NH2 ARG B 27 129.100 10.056 -7.008 1.00 2.45 N ATOM 0 H ARG B 27 135.281 9.903 -3.542 1.00 0.86 H new ATOM 0 HA ARG B 27 135.171 8.021 -5.660 1.00 0.93 H new ATOM 0 HB2 ARG B 27 133.909 10.343 -4.813 1.00 1.07 H new ATOM 0 HB3 ARG B 27 134.794 10.954 -6.196 1.00 1.07 H new ATOM 0 HG2 ARG B 27 133.843 8.932 -7.522 1.00 1.09 H new ATOM 0 HG3 ARG B 27 132.771 8.666 -6.161 1.00 1.09 H new ATOM 0 HD2 ARG B 27 132.131 11.214 -6.412 1.00 1.11 H new ATOM 0 HD3 ARG B 27 132.894 11.115 -7.987 1.00 1.11 H new ATOM 0 HE ARG B 27 131.312 8.833 -8.046 1.00 1.55 H new ATOM 0 HH11 ARG B 27 130.641 11.634 -9.304 1.00 2.34 H new ATOM 0 HH12 ARG B 27 128.982 11.832 -8.732 1.00 2.34 H new ATOM 0 HH21 ARG B 27 129.244 9.310 -6.328 1.00 2.45 H new ATOM 0 HH22 ARG B 27 128.198 10.529 -7.063 1.00 2.45 H new ATOM 1896 N ASP B 28 137.481 10.307 -6.042 1.00 0.86 N ATOM 1897 CA ASP B 28 138.689 10.621 -6.851 1.00 0.89 C ATOM 1898 C ASP B 28 139.684 9.471 -6.710 1.00 0.82 C ATOM 1899 O ASP B 28 140.567 9.289 -7.524 1.00 0.86 O ATOM 1900 CB ASP B 28 139.256 11.906 -6.244 1.00 1.04 C ATOM 1901 CG ASP B 28 138.600 13.120 -6.906 1.00 1.25 C ATOM 1902 OD1 ASP B 28 138.811 13.310 -8.092 1.00 1.66 O ATOM 1903 OD2 ASP B 28 137.900 13.841 -6.214 1.00 1.76 O ATOM 0 H ASP B 28 137.330 10.914 -5.237 1.00 0.86 H new ATOM 0 HA ASP B 28 138.473 10.749 -7.912 1.00 0.89 H new ATOM 0 HB2 ASP B 28 139.075 11.923 -5.169 1.00 1.04 H new ATOM 0 HB3 ASP B 28 140.336 11.941 -6.386 1.00 1.04 H new ATOM 1908 N SER B 29 139.527 8.682 -5.681 1.00 0.76 N ATOM 1909 CA SER B 29 140.437 7.526 -5.480 1.00 0.76 C ATOM 1910 C SER B 29 140.254 6.553 -6.640 1.00 0.71 C ATOM 1911 O SER B 29 141.167 6.311 -7.404 1.00 0.76 O ATOM 1912 CB SER B 29 139.999 6.887 -4.162 1.00 0.83 C ATOM 1913 OG SER B 29 139.880 7.894 -3.165 1.00 1.24 O ATOM 0 H SER B 29 138.804 8.792 -4.970 1.00 0.76 H new ATOM 0 HA SER B 29 141.488 7.812 -5.445 1.00 0.76 H new ATOM 0 HB2 SER B 29 139.046 6.375 -4.293 1.00 0.83 H new ATOM 0 HB3 SER B 29 140.725 6.136 -3.851 1.00 0.83 H new ATOM 0 HG SER B 29 140.027 7.498 -2.281 1.00 1.24 H new ATOM 1919 N VAL B 30 139.080 5.996 -6.791 1.00 0.70 N ATOM 1920 CA VAL B 30 138.865 5.055 -7.921 1.00 0.72 C ATOM 1921 C VAL B 30 137.966 5.706 -8.973 1.00 0.75 C ATOM 1922 O VAL B 30 136.766 5.781 -8.802 1.00 0.79 O ATOM 1923 CB VAL B 30 138.185 3.847 -7.292 1.00 0.76 C ATOM 1924 CG1 VAL B 30 138.204 2.684 -8.280 1.00 0.85 C ATOM 1925 CG2 VAL B 30 138.942 3.455 -6.023 1.00 0.83 C ATOM 0 H VAL B 30 138.273 6.152 -6.187 1.00 0.70 H new ATOM 0 HA VAL B 30 139.791 4.779 -8.426 1.00 0.72 H new ATOM 0 HB VAL B 30 137.152 4.090 -7.043 1.00 0.76 H new ATOM 0 HG11 VAL B 30 137.718 1.818 -7.832 1.00 0.85 H new ATOM 0 HG12 VAL B 30 137.673 2.969 -9.188 1.00 0.85 H new ATOM 0 HG13 VAL B 30 139.236 2.433 -8.527 1.00 0.85 H new ATOM 0 HG21 VAL B 30 138.462 2.590 -5.565 1.00 0.83 H new ATOM 0 HG22 VAL B 30 139.973 3.206 -6.276 1.00 0.83 H new ATOM 0 HG23 VAL B 30 138.932 4.289 -5.321 1.00 0.83 H new ATOM 1935 N PRO B 31 138.583 6.165 -10.028 1.00 0.81 N ATOM 1936 CA PRO B 31 137.830 6.830 -11.117 1.00 0.93 C ATOM 1937 C PRO B 31 136.927 5.836 -11.832 1.00 0.98 C ATOM 1938 O PRO B 31 137.375 4.853 -12.390 1.00 1.77 O ATOM 1939 CB PRO B 31 138.920 7.371 -12.036 1.00 1.07 C ATOM 1940 CG PRO B 31 140.110 6.511 -11.761 1.00 1.04 C ATOM 1941 CD PRO B 31 140.021 6.106 -10.312 1.00 0.84 C ATOM 0 HA PRO B 31 137.166 7.618 -10.761 1.00 0.93 H new ATOM 0 HB2 PRO B 31 138.621 7.311 -13.083 1.00 1.07 H new ATOM 0 HB3 PRO B 31 139.132 8.419 -11.825 1.00 1.07 H new ATOM 0 HG2 PRO B 31 140.113 5.635 -12.409 1.00 1.04 H new ATOM 0 HG3 PRO B 31 141.035 7.055 -11.956 1.00 1.04 H new ATOM 0 HD2 PRO B 31 140.422 5.105 -10.150 1.00 0.84 H new ATOM 0 HD3 PRO B 31 140.585 6.783 -9.671 1.00 0.84 H new ATOM 1949 N SER B 32 135.645 6.089 -11.787 1.00 1.08 N ATOM 1950 CA SER B 32 134.651 5.184 -12.433 1.00 1.18 C ATOM 1951 C SER B 32 134.574 3.837 -11.695 1.00 1.03 C ATOM 1952 O SER B 32 133.713 3.026 -11.972 1.00 1.84 O ATOM 1953 CB SER B 32 135.136 4.995 -13.876 1.00 1.52 C ATOM 1954 OG SER B 32 134.371 5.824 -14.740 1.00 2.04 O ATOM 0 H SER B 32 135.239 6.900 -11.321 1.00 1.08 H new ATOM 0 HA SER B 32 133.647 5.607 -12.403 1.00 1.18 H new ATOM 0 HB2 SER B 32 136.194 5.248 -13.953 1.00 1.52 H new ATOM 0 HB3 SER B 32 135.036 3.951 -14.172 1.00 1.52 H new ATOM 0 HG SER B 32 134.679 5.707 -15.663 1.00 2.04 H new ATOM 1960 N LEU B 33 135.462 3.582 -10.756 1.00 0.96 N ATOM 1961 CA LEU B 33 135.418 2.284 -10.016 1.00 0.92 C ATOM 1962 C LEU B 33 135.449 1.112 -10.956 1.00 1.06 C ATOM 1963 O LEU B 33 135.138 -0.015 -10.621 1.00 1.43 O ATOM 1964 CB LEU B 33 134.128 2.349 -9.296 1.00 0.78 C ATOM 1965 CG LEU B 33 134.420 3.077 -8.031 1.00 0.85 C ATOM 1966 CD1 LEU B 33 133.270 3.996 -7.740 1.00 1.16 C ATOM 1967 CD2 LEU B 33 134.603 2.046 -6.954 1.00 0.81 C ATOM 0 H LEU B 33 136.210 4.216 -10.475 1.00 0.96 H new ATOM 0 HA LEU B 33 136.274 2.146 -9.356 1.00 0.92 H new ATOM 0 HB2 LEU B 33 133.375 2.871 -9.885 1.00 0.78 H new ATOM 0 HB3 LEU B 33 133.739 1.351 -9.095 1.00 0.78 H new ATOM 0 HG LEU B 33 135.324 3.682 -8.097 1.00 0.85 H new ATOM 0 HD11 LEU B 33 133.464 4.540 -6.816 1.00 1.16 H new ATOM 0 HD12 LEU B 33 133.154 4.704 -8.560 1.00 1.16 H new ATOM 0 HD13 LEU B 33 132.356 3.412 -7.632 1.00 1.16 H new ATOM 0 HD21 LEU B 33 134.819 2.542 -6.008 1.00 0.81 H new ATOM 0 HD22 LEU B 33 133.691 1.458 -6.855 1.00 0.81 H new ATOM 0 HD23 LEU B 33 135.432 1.389 -7.217 1.00 0.81 H new ATOM 1979 N GLN B 34 135.831 1.405 -12.121 1.00 1.45 N ATOM 1980 CA GLN B 34 135.927 0.365 -13.183 1.00 1.71 C ATOM 1981 C GLN B 34 134.722 -0.566 -13.091 1.00 1.66 C ATOM 1982 O GLN B 34 134.849 -1.745 -12.826 1.00 2.34 O ATOM 1983 CB GLN B 34 137.217 -0.398 -12.876 1.00 2.10 C ATOM 1984 CG GLN B 34 137.590 -1.284 -14.067 1.00 2.55 C ATOM 1985 CD GLN B 34 138.905 -0.791 -14.672 1.00 2.89 C ATOM 1986 OE1 GLN B 34 139.787 -0.353 -13.961 1.00 3.23 O ATOM 1987 NE2 GLN B 34 139.077 -0.844 -15.965 1.00 3.34 N ATOM 0 H GLN B 34 136.095 2.344 -12.419 1.00 1.45 H new ATOM 0 HA GLN B 34 135.938 0.789 -14.187 1.00 1.71 H new ATOM 0 HB2 GLN B 34 138.024 0.304 -12.666 1.00 2.10 H new ATOM 0 HB3 GLN B 34 137.085 -1.009 -11.983 1.00 2.10 H new ATOM 0 HG2 GLN B 34 137.690 -2.321 -13.746 1.00 2.55 H new ATOM 0 HG3 GLN B 34 136.799 -1.257 -14.817 1.00 2.55 H new ATOM 0 HE21 GLN B 34 138.337 -1.212 -16.563 1.00 3.34 H new ATOM 0 HE22 GLN B 34 139.951 -0.518 -16.377 1.00 3.34 H new ATOM 1996 N GLY B 35 133.550 -0.038 -13.289 1.00 1.48 N ATOM 1997 CA GLY B 35 132.332 -0.880 -13.198 1.00 1.62 C ATOM 1998 C GLY B 35 131.524 -0.449 -11.976 1.00 1.48 C ATOM 1999 O GLY B 35 130.737 -1.207 -11.444 1.00 2.06 O ATOM 0 H GLY B 35 133.384 0.944 -13.511 1.00 1.48 H new ATOM 0 HA2 GLY B 35 131.733 -0.775 -14.102 1.00 1.62 H new ATOM 0 HA3 GLY B 35 132.606 -1.932 -13.117 1.00 1.62 H new ATOM 2003 N GLU B 36 131.734 0.764 -11.523 1.00 1.07 N ATOM 2004 CA GLU B 36 131.001 1.281 -10.333 1.00 1.15 C ATOM 2005 C GLU B 36 129.579 0.718 -10.256 1.00 1.39 C ATOM 2006 O GLU B 36 129.008 0.285 -11.236 1.00 1.91 O ATOM 2007 CB GLU B 36 130.960 2.800 -10.529 1.00 1.34 C ATOM 2008 CG GLU B 36 129.865 3.168 -11.536 1.00 1.81 C ATOM 2009 CD GLU B 36 130.205 2.570 -12.904 1.00 2.34 C ATOM 2010 OE1 GLU B 36 131.184 3.001 -13.490 1.00 2.74 O ATOM 2011 OE2 GLU B 36 129.479 1.692 -13.341 1.00 2.87 O ATOM 0 H GLU B 36 132.393 1.424 -11.936 1.00 1.07 H new ATOM 0 HA GLU B 36 131.492 0.988 -9.405 1.00 1.15 H new ATOM 0 HB2 GLU B 36 130.770 3.293 -9.576 1.00 1.34 H new ATOM 0 HB3 GLU B 36 131.927 3.156 -10.884 1.00 1.34 H new ATOM 0 HG2 GLU B 36 128.901 2.793 -11.193 1.00 1.81 H new ATOM 0 HG3 GLU B 36 129.777 4.252 -11.613 1.00 1.81 H new ATOM 2018 N LYS B 37 129.013 0.751 -9.086 1.00 1.38 N ATOM 2019 CA LYS B 37 127.623 0.243 -8.883 1.00 1.58 C ATOM 2020 C LYS B 37 127.295 0.220 -7.384 1.00 1.32 C ATOM 2021 O LYS B 37 126.148 0.122 -6.996 1.00 1.57 O ATOM 2022 CB LYS B 37 127.606 -1.180 -9.454 1.00 1.97 C ATOM 2023 CG LYS B 37 128.751 -1.994 -8.847 1.00 2.57 C ATOM 2024 CD LYS B 37 128.634 -3.457 -9.290 1.00 3.02 C ATOM 2025 CE LYS B 37 127.445 -4.114 -8.583 1.00 3.57 C ATOM 2026 NZ LYS B 37 127.494 -5.545 -8.996 1.00 3.77 N ATOM 0 H LYS B 37 129.459 1.114 -8.244 1.00 1.38 H new ATOM 0 HA LYS B 37 126.883 0.875 -9.374 1.00 1.58 H new ATOM 0 HB2 LYS B 37 126.651 -1.658 -9.235 1.00 1.97 H new ATOM 0 HB3 LYS B 37 127.705 -1.148 -10.539 1.00 1.97 H new ATOM 0 HG2 LYS B 37 129.710 -1.583 -9.163 1.00 2.57 H new ATOM 0 HG3 LYS B 37 128.720 -1.929 -7.759 1.00 2.57 H new ATOM 0 HD2 LYS B 37 128.503 -3.511 -10.371 1.00 3.02 H new ATOM 0 HD3 LYS B 37 129.553 -3.994 -9.053 1.00 3.02 H new ATOM 0 HE2 LYS B 37 127.524 -4.013 -7.501 1.00 3.57 H new ATOM 0 HE3 LYS B 37 126.504 -3.650 -8.879 1.00 3.57 H new ATOM 0 HZ1 LYS B 37 126.709 -6.062 -8.551 1.00 3.77 H new ATOM 0 HZ2 LYS B 37 127.410 -5.611 -10.030 1.00 3.77 H new ATOM 0 HZ3 LYS B 37 128.398 -5.962 -8.695 1.00 3.77 H new ATOM 2040 N ALA B 38 128.301 0.303 -6.545 1.00 1.23 N ATOM 2041 CA ALA B 38 128.081 0.284 -5.070 1.00 1.17 C ATOM 2042 C ALA B 38 126.745 0.940 -4.681 1.00 1.37 C ATOM 2043 O ALA B 38 125.716 0.295 -4.654 1.00 2.20 O ATOM 2044 CB ALA B 38 129.252 1.089 -4.511 1.00 1.02 C ATOM 0 H ALA B 38 129.278 0.384 -6.828 1.00 1.23 H new ATOM 0 HA ALA B 38 128.033 -0.733 -4.681 1.00 1.17 H new ATOM 0 HB1 ALA B 38 129.178 1.132 -3.424 1.00 1.02 H new ATOM 0 HB2 ALA B 38 130.190 0.610 -4.792 1.00 1.02 H new ATOM 0 HB3 ALA B 38 129.225 2.100 -4.917 1.00 1.02 H new ATOM 2050 N SER B 39 126.762 2.214 -4.370 1.00 1.16 N ATOM 2051 CA SER B 39 125.500 2.924 -3.966 1.00 1.37 C ATOM 2052 C SER B 39 125.816 4.261 -3.276 1.00 1.04 C ATOM 2053 O SER B 39 126.906 4.480 -2.789 1.00 1.47 O ATOM 2054 CB SER B 39 124.804 1.984 -2.980 1.00 1.86 C ATOM 2055 OG SER B 39 125.787 1.288 -2.223 1.00 2.64 O ATOM 0 H SER B 39 127.598 2.798 -4.378 1.00 1.16 H new ATOM 0 HA SER B 39 124.880 3.152 -4.833 1.00 1.37 H new ATOM 0 HB2 SER B 39 124.152 2.552 -2.317 1.00 1.86 H new ATOM 0 HB3 SER B 39 124.173 1.276 -3.518 1.00 1.86 H new ATOM 0 HG SER B 39 125.345 0.685 -1.589 1.00 2.64 H new ATOM 2061 N ARG B 40 124.854 5.148 -3.225 1.00 1.10 N ATOM 2062 CA ARG B 40 125.064 6.475 -2.563 1.00 1.01 C ATOM 2063 C ARG B 40 126.449 7.056 -2.916 1.00 0.88 C ATOM 2064 O ARG B 40 126.639 7.573 -4.000 1.00 1.00 O ATOM 2065 CB ARG B 40 124.907 6.195 -1.061 1.00 1.31 C ATOM 2066 CG ARG B 40 124.334 7.434 -0.363 1.00 1.79 C ATOM 2067 CD ARG B 40 125.426 8.496 -0.201 1.00 2.21 C ATOM 2068 NE ARG B 40 124.731 9.799 -0.400 1.00 2.81 N ATOM 2069 CZ ARG B 40 125.425 10.902 -0.492 1.00 3.53 C ATOM 2070 NH1 ARG B 40 125.732 11.571 0.586 1.00 4.02 N ATOM 2071 NH2 ARG B 40 125.811 11.337 -1.661 1.00 4.22 N ATOM 0 H ARG B 40 123.923 5.009 -3.617 1.00 1.10 H new ATOM 0 HA ARG B 40 124.351 7.228 -2.897 1.00 1.01 H new ATOM 0 HB2 ARG B 40 124.247 5.341 -0.907 1.00 1.31 H new ATOM 0 HB3 ARG B 40 125.872 5.934 -0.627 1.00 1.31 H new ATOM 0 HG2 ARG B 40 123.505 7.838 -0.944 1.00 1.79 H new ATOM 0 HG3 ARG B 40 123.935 7.159 0.613 1.00 1.79 H new ATOM 0 HD2 ARG B 40 125.886 8.441 0.785 1.00 2.21 H new ATOM 0 HD3 ARG B 40 126.222 8.358 -0.932 1.00 2.21 H new ATOM 0 HE ARG B 40 123.713 9.830 -0.464 1.00 2.81 H new ATOM 0 HH11 ARG B 40 125.430 11.232 1.500 1.00 4.02 H new ATOM 0 HH12 ARG B 40 126.274 12.432 0.515 1.00 4.02 H new ATOM 0 HH21 ARG B 40 125.571 10.815 -2.504 1.00 4.22 H new ATOM 0 HH22 ARG B 40 126.353 12.198 -1.731 1.00 4.22 H new ATOM 2085 N ALA B 41 127.425 6.974 -2.042 1.00 0.90 N ATOM 2086 CA ALA B 41 128.765 7.517 -2.382 1.00 0.88 C ATOM 2087 C ALA B 41 129.449 6.502 -3.269 1.00 1.10 C ATOM 2088 O ALA B 41 130.162 6.834 -4.193 1.00 2.00 O ATOM 2089 CB ALA B 41 129.486 7.657 -1.047 1.00 1.04 C ATOM 0 H ALA B 41 127.346 6.556 -1.115 1.00 0.90 H new ATOM 0 HA ALA B 41 128.741 8.473 -2.906 1.00 0.88 H new ATOM 0 HB1 ALA B 41 130.487 8.054 -1.214 1.00 1.04 H new ATOM 0 HB2 ALA B 41 128.929 8.337 -0.402 1.00 1.04 H new ATOM 0 HB3 ALA B 41 129.558 6.680 -0.568 1.00 1.04 H new ATOM 2095 N GLN B 42 129.192 5.254 -2.991 1.00 0.77 N ATOM 2096 CA GLN B 42 129.760 4.137 -3.802 1.00 0.96 C ATOM 2097 C GLN B 42 131.246 3.916 -3.500 1.00 0.95 C ATOM 2098 O GLN B 42 131.801 2.860 -3.781 1.00 1.18 O ATOM 2099 CB GLN B 42 129.566 4.554 -5.265 1.00 1.18 C ATOM 2100 CG GLN B 42 128.146 5.094 -5.485 1.00 1.42 C ATOM 2101 CD GLN B 42 127.926 5.332 -6.979 1.00 1.68 C ATOM 2102 OE1 GLN B 42 127.450 6.377 -7.377 1.00 2.48 O ATOM 2103 NE2 GLN B 42 128.260 4.400 -7.829 1.00 1.73 N ATOM 0 H GLN B 42 128.598 4.954 -2.218 1.00 0.77 H new ATOM 0 HA GLN B 42 129.262 3.195 -3.572 1.00 0.96 H new ATOM 0 HB2 GLN B 42 130.297 5.317 -5.532 1.00 1.18 H new ATOM 0 HB3 GLN B 42 129.742 3.700 -5.919 1.00 1.18 H new ATOM 0 HG2 GLN B 42 127.411 4.384 -5.105 1.00 1.42 H new ATOM 0 HG3 GLN B 42 128.007 6.023 -4.932 1.00 1.42 H new ATOM 0 HE21 GLN B 42 128.659 3.523 -7.494 1.00 1.73 H new ATOM 0 HE22 GLN B 42 128.122 4.548 -8.829 1.00 1.73 H new ATOM 2112 N ILE B 43 131.903 4.878 -2.920 1.00 0.85 N ATOM 2113 CA ILE B 43 133.343 4.679 -2.619 1.00 0.92 C ATOM 2114 C ILE B 43 133.472 3.829 -1.360 1.00 0.82 C ATOM 2115 O ILE B 43 134.483 3.204 -1.130 1.00 0.75 O ATOM 2116 CB ILE B 43 133.975 6.071 -2.439 1.00 1.18 C ATOM 2117 CG1 ILE B 43 133.143 7.157 -3.137 1.00 1.66 C ATOM 2118 CG2 ILE B 43 135.363 6.059 -3.077 1.00 1.84 C ATOM 2119 CD1 ILE B 43 132.229 7.834 -2.116 1.00 2.40 C ATOM 0 H ILE B 43 131.513 5.779 -2.645 1.00 0.85 H new ATOM 0 HA ILE B 43 133.859 4.156 -3.424 1.00 0.92 H new ATOM 0 HB ILE B 43 134.022 6.292 -1.373 1.00 1.18 H new ATOM 0 HG12 ILE B 43 133.801 7.894 -3.597 1.00 1.66 H new ATOM 0 HG13 ILE B 43 132.548 6.716 -3.937 1.00 1.66 H new ATOM 0 HG21 ILE B 43 135.826 7.039 -2.959 1.00 1.84 H new ATOM 0 HG22 ILE B 43 135.981 5.304 -2.590 1.00 1.84 H new ATOM 0 HG23 ILE B 43 135.274 5.826 -4.138 1.00 1.84 H new ATOM 0 HD11 ILE B 43 131.638 8.605 -2.611 1.00 2.40 H new ATOM 0 HD12 ILE B 43 131.562 7.092 -1.676 1.00 2.40 H new ATOM 0 HD13 ILE B 43 132.834 8.288 -1.331 1.00 2.40 H new ATOM 2131 N LEU B 44 132.443 3.767 -0.556 1.00 0.90 N ATOM 2132 CA LEU B 44 132.519 2.910 0.660 1.00 0.90 C ATOM 2133 C LEU B 44 132.541 1.451 0.224 1.00 0.79 C ATOM 2134 O LEU B 44 133.363 0.670 0.657 1.00 0.73 O ATOM 2135 CB LEU B 44 131.257 3.217 1.460 1.00 0.99 C ATOM 2136 CG LEU B 44 131.491 4.464 2.309 1.00 0.91 C ATOM 2137 CD1 LEU B 44 132.177 5.535 1.469 1.00 0.84 C ATOM 2138 CD2 LEU B 44 130.154 5.008 2.791 1.00 1.55 C ATOM 0 H LEU B 44 131.564 4.267 -0.687 1.00 0.90 H new ATOM 0 HA LEU B 44 133.411 3.097 1.257 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.414 3.374 0.787 1.00 0.99 H new ATOM 0 HB3 LEU B 44 131.002 2.371 2.098 1.00 0.99 H new ATOM 0 HG LEU B 44 132.118 4.202 3.161 1.00 0.91 H new ATOM 0 HD11 LEU B 44 132.343 6.424 2.078 1.00 0.84 H new ATOM 0 HD12 LEU B 44 133.134 5.158 1.110 1.00 0.84 H new ATOM 0 HD13 LEU B 44 131.545 5.790 0.618 1.00 0.84 H new ATOM 0 HD21 LEU B 44 130.321 5.898 3.397 1.00 1.55 H new ATOM 0 HD22 LEU B 44 129.535 5.265 1.932 1.00 1.55 H new ATOM 0 HD23 LEU B 44 129.648 4.251 3.390 1.00 1.55 H new ATOM 2150 N ASP B 45 131.653 1.085 -0.657 1.00 0.91 N ATOM 2151 CA ASP B 45 131.640 -0.315 -1.148 1.00 0.87 C ATOM 2152 C ASP B 45 133.045 -0.679 -1.620 1.00 0.73 C ATOM 2153 O ASP B 45 133.593 -1.698 -1.248 1.00 0.66 O ATOM 2154 CB ASP B 45 130.659 -0.311 -2.315 1.00 1.04 C ATOM 2155 CG ASP B 45 129.480 -1.231 -1.994 1.00 1.80 C ATOM 2156 OD1 ASP B 45 129.726 -2.363 -1.613 1.00 2.49 O ATOM 2157 OD2 ASP B 45 128.352 -0.787 -2.133 1.00 2.42 O ATOM 0 H ASP B 45 130.939 1.695 -1.056 1.00 0.91 H new ATOM 0 HA ASP B 45 131.348 -1.039 -0.387 1.00 0.87 H new ATOM 0 HB2 ASP B 45 130.303 0.702 -2.501 1.00 1.04 H new ATOM 0 HB3 ASP B 45 131.158 -0.646 -3.224 1.00 1.04 H new ATOM 2162 N LYS B 46 133.644 0.163 -2.421 1.00 0.78 N ATOM 2163 CA LYS B 46 135.028 -0.133 -2.892 1.00 0.75 C ATOM 2164 C LYS B 46 136.023 0.136 -1.762 1.00 0.65 C ATOM 2165 O LYS B 46 136.963 -0.605 -1.554 1.00 0.75 O ATOM 2166 CB LYS B 46 135.268 0.827 -4.057 1.00 0.90 C ATOM 2167 CG LYS B 46 136.765 0.875 -4.386 1.00 1.35 C ATOM 2168 CD LYS B 46 137.433 2.025 -3.624 1.00 1.43 C ATOM 2169 CE LYS B 46 136.786 3.352 -4.024 1.00 1.86 C ATOM 2170 NZ LYS B 46 137.640 4.402 -3.402 1.00 2.14 N ATOM 0 H LYS B 46 133.240 1.034 -2.766 1.00 0.78 H new ATOM 0 HA LYS B 46 135.153 -1.173 -3.195 1.00 0.75 H new ATOM 0 HB2 LYS B 46 134.704 0.502 -4.931 1.00 0.90 H new ATOM 0 HB3 LYS B 46 134.910 1.824 -3.799 1.00 0.90 H new ATOM 0 HG2 LYS B 46 137.235 -0.071 -4.118 1.00 1.35 H new ATOM 0 HG3 LYS B 46 136.906 1.008 -5.459 1.00 1.35 H new ATOM 0 HD2 LYS B 46 137.332 1.869 -2.550 1.00 1.43 H new ATOM 0 HD3 LYS B 46 138.500 2.049 -3.844 1.00 1.43 H new ATOM 0 HE2 LYS B 46 136.751 3.463 -5.108 1.00 1.86 H new ATOM 0 HE3 LYS B 46 135.759 3.414 -3.664 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 137.386 5.332 -3.792 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 137.491 4.406 -2.373 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 138.640 4.202 -3.606 1.00 2.14 H new ATOM 2184 N ALA B 47 135.818 1.196 -1.029 1.00 0.57 N ATOM 2185 CA ALA B 47 136.744 1.523 0.092 1.00 0.61 C ATOM 2186 C ALA B 47 136.936 0.294 0.979 1.00 0.68 C ATOM 2187 O ALA B 47 138.042 -0.071 1.324 1.00 0.71 O ATOM 2188 CB ALA B 47 136.050 2.640 0.871 1.00 0.67 C ATOM 0 H ALA B 47 135.047 1.851 -1.159 1.00 0.57 H new ATOM 0 HA ALA B 47 137.730 1.827 -0.259 1.00 0.61 H new ATOM 0 HB1 ALA B 47 136.673 2.936 1.715 1.00 0.67 H new ATOM 0 HB2 ALA B 47 135.894 3.498 0.217 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.087 2.284 1.238 1.00 0.67 H new ATOM 2194 N THR B 48 135.863 -0.350 1.344 1.00 0.77 N ATOM 2195 CA THR B 48 135.977 -1.563 2.203 1.00 0.92 C ATOM 2196 C THR B 48 136.696 -2.677 1.442 1.00 0.85 C ATOM 2197 O THR B 48 137.562 -3.345 1.970 1.00 0.91 O ATOM 2198 CB THR B 48 134.536 -1.976 2.510 1.00 1.09 C ATOM 2199 OG1 THR B 48 133.688 -0.839 2.430 1.00 2.02 O ATOM 2200 CG2 THR B 48 134.463 -2.577 3.915 1.00 1.20 C ATOM 0 H THR B 48 134.911 -0.089 1.085 1.00 0.77 H new ATOM 0 HA THR B 48 136.547 -1.371 3.112 1.00 0.92 H new ATOM 0 HB THR B 48 134.210 -2.720 1.783 1.00 1.09 H new ATOM 0 HG1 THR B 48 133.380 -0.725 1.507 1.00 2.02 H new ATOM 0 HG21 THR B 48 133.436 -2.871 4.132 1.00 1.20 H new ATOM 0 HG22 THR B 48 135.110 -3.452 3.970 1.00 1.20 H new ATOM 0 HG23 THR B 48 134.791 -1.837 4.645 1.00 1.20 H new ATOM 2208 N GLU B 49 136.344 -2.882 0.201 1.00 0.78 N ATOM 2209 CA GLU B 49 137.008 -3.954 -0.592 1.00 0.81 C ATOM 2210 C GLU B 49 138.504 -3.658 -0.727 1.00 0.70 C ATOM 2211 O GLU B 49 139.340 -4.457 -0.353 1.00 0.72 O ATOM 2212 CB GLU B 49 136.321 -3.921 -1.958 1.00 0.83 C ATOM 2213 CG GLU B 49 134.979 -4.651 -1.868 1.00 1.22 C ATOM 2214 CD GLU B 49 135.222 -6.158 -1.760 1.00 1.67 C ATOM 2215 OE1 GLU B 49 136.373 -6.558 -1.811 1.00 2.27 O ATOM 2216 OE2 GLU B 49 134.252 -6.886 -1.629 1.00 2.27 O ATOM 0 H GLU B 49 135.627 -2.354 -0.296 1.00 0.78 H new ATOM 0 HA GLU B 49 136.922 -4.933 -0.121 1.00 0.81 H new ATOM 0 HB2 GLU B 49 136.166 -2.890 -2.275 1.00 0.83 H new ATOM 0 HB3 GLU B 49 136.955 -4.393 -2.708 1.00 0.83 H new ATOM 0 HG2 GLU B 49 134.419 -4.299 -1.001 1.00 1.22 H new ATOM 0 HG3 GLU B 49 134.374 -4.432 -2.748 1.00 1.22 H new ATOM 2223 N TYR B 50 138.851 -2.515 -1.253 1.00 0.70 N ATOM 2224 CA TYR B 50 140.296 -2.178 -1.399 1.00 0.67 C ATOM 2225 C TYR B 50 141.008 -2.353 -0.056 1.00 0.61 C ATOM 2226 O TYR B 50 141.870 -3.196 0.097 1.00 0.58 O ATOM 2227 CB TYR B 50 140.322 -0.712 -1.833 1.00 0.88 C ATOM 2228 CG TYR B 50 140.329 -0.628 -3.342 1.00 0.71 C ATOM 2229 CD1 TYR B 50 139.774 -1.662 -4.106 1.00 1.38 C ATOM 2230 CD2 TYR B 50 140.893 0.486 -3.975 1.00 1.56 C ATOM 2231 CE1 TYR B 50 139.782 -1.580 -5.504 1.00 1.82 C ATOM 2232 CE2 TYR B 50 140.900 0.567 -5.372 1.00 1.86 C ATOM 2233 CZ TYR B 50 140.346 -0.466 -6.137 1.00 1.72 C ATOM 2234 OH TYR B 50 140.354 -0.386 -7.514 1.00 2.36 O ATOM 0 H TYR B 50 138.201 -1.803 -1.586 1.00 0.70 H new ATOM 0 HA TYR B 50 140.802 -2.821 -2.119 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.453 -0.189 -1.434 1.00 0.88 H new ATOM 0 HB3 TYR B 50 141.205 -0.218 -1.427 1.00 0.88 H new ATOM 0 HD1 TYR B 50 139.340 -2.522 -3.618 1.00 1.38 H new ATOM 0 HD2 TYR B 50 141.322 1.282 -3.385 1.00 1.56 H new ATOM 0 HE1 TYR B 50 139.353 -2.376 -6.094 1.00 1.82 H new ATOM 0 HE2 TYR B 50 141.333 1.427 -5.860 1.00 1.86 H new ATOM 0 HH TYR B 50 140.781 0.451 -7.791 1.00 2.36 H new ATOM 2244 N ILE B 51 140.652 -1.564 0.919 1.00 0.70 N ATOM 2245 CA ILE B 51 141.305 -1.681 2.253 1.00 0.76 C ATOM 2246 C ILE B 51 141.483 -3.154 2.635 1.00 0.70 C ATOM 2247 O ILE B 51 142.505 -3.548 3.156 1.00 0.76 O ATOM 2248 CB ILE B 51 140.349 -0.983 3.221 1.00 0.98 C ATOM 2249 CG1 ILE B 51 140.409 0.528 2.986 1.00 1.05 C ATOM 2250 CG2 ILE B 51 140.761 -1.293 4.661 1.00 1.33 C ATOM 2251 CD1 ILE B 51 139.363 1.227 3.857 1.00 0.74 C ATOM 0 H ILE B 51 139.935 -0.841 0.850 1.00 0.70 H new ATOM 0 HA ILE B 51 142.299 -1.234 2.267 1.00 0.76 H new ATOM 0 HB ILE B 51 139.333 -1.340 3.053 1.00 0.98 H new ATOM 0 HG12 ILE B 51 141.404 0.904 3.224 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.228 0.750 1.934 1.00 1.05 H new ATOM 0 HG21 ILE B 51 140.079 -0.795 5.350 1.00 1.33 H new ATOM 0 HG22 ILE B 51 140.722 -2.370 4.827 1.00 1.33 H new ATOM 0 HG23 ILE B 51 141.776 -0.936 4.834 1.00 1.33 H new ATOM 0 HD11 ILE B 51 139.408 2.303 3.687 1.00 0.74 H new ATOM 0 HD12 ILE B 51 138.370 0.860 3.598 1.00 0.74 H new ATOM 0 HD13 ILE B 51 139.565 1.017 4.907 1.00 0.74 H new ATOM 2263 N GLN B 52 140.498 -3.972 2.381 1.00 0.69 N ATOM 2264 CA GLN B 52 140.623 -5.416 2.733 1.00 0.73 C ATOM 2265 C GLN B 52 141.439 -6.154 1.667 1.00 0.67 C ATOM 2266 O GLN B 52 142.577 -6.521 1.886 1.00 0.74 O ATOM 2267 CB GLN B 52 139.188 -5.942 2.769 1.00 0.83 C ATOM 2268 CG GLN B 52 138.985 -6.795 4.023 1.00 1.34 C ATOM 2269 CD GLN B 52 137.559 -7.349 4.037 1.00 1.77 C ATOM 2270 OE1 GLN B 52 137.272 -8.337 3.390 1.00 2.49 O ATOM 2271 NE2 GLN B 52 136.646 -6.750 4.751 1.00 1.98 N ATOM 0 H GLN B 52 139.615 -3.705 1.946 1.00 0.69 H new ATOM 0 HA GLN B 52 141.136 -5.565 3.683 1.00 0.73 H new ATOM 0 HB2 GLN B 52 138.485 -5.109 2.766 1.00 0.83 H new ATOM 0 HB3 GLN B 52 138.985 -6.535 1.877 1.00 0.83 H new ATOM 0 HG2 GLN B 52 139.705 -7.613 4.040 1.00 1.34 H new ATOM 0 HG3 GLN B 52 139.163 -6.196 4.916 1.00 1.34 H new ATOM 0 HE21 GLN B 52 136.886 -5.921 5.294 1.00 1.98 H new ATOM 0 HE22 GLN B 52 135.692 -7.111 4.766 1.00 1.98 H new ATOM 2280 N TYR B 53 140.866 -6.373 0.516 1.00 0.62 N ATOM 2281 CA TYR B 53 141.604 -7.086 -0.566 1.00 0.65 C ATOM 2282 C TYR B 53 143.034 -6.535 -0.677 1.00 0.62 C ATOM 2283 O TYR B 53 143.990 -7.280 -0.764 1.00 0.75 O ATOM 2284 CB TYR B 53 140.774 -6.819 -1.837 1.00 0.69 C ATOM 2285 CG TYR B 53 141.664 -6.476 -3.015 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.527 -7.441 -3.549 1.00 1.43 C ATOM 2287 CD2 TYR B 53 141.622 -5.191 -3.570 1.00 1.42 C ATOM 2288 CE1 TYR B 53 143.347 -7.120 -4.638 1.00 1.48 C ATOM 2289 CE2 TYR B 53 142.442 -4.870 -4.658 1.00 1.48 C ATOM 2290 CZ TYR B 53 143.305 -5.835 -5.192 1.00 0.93 C ATOM 2291 OH TYR B 53 144.115 -5.518 -6.264 1.00 1.04 O ATOM 0 H TYR B 53 139.916 -6.088 0.277 1.00 0.62 H new ATOM 0 HA TYR B 53 141.713 -8.155 -0.385 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.176 -7.699 -2.075 1.00 0.69 H new ATOM 0 HB3 TYR B 53 140.078 -6.000 -1.654 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.560 -8.432 -3.121 1.00 1.43 H new ATOM 0 HD2 TYR B 53 140.956 -4.447 -3.158 1.00 1.42 H new ATOM 0 HE1 TYR B 53 144.012 -7.864 -5.051 1.00 1.48 H new ATOM 0 HE2 TYR B 53 142.409 -3.879 -5.085 1.00 1.48 H new ATOM 0 HH TYR B 53 143.961 -4.586 -6.526 1.00 1.04 H new ATOM 2301 N MET B 54 143.185 -5.240 -0.678 1.00 0.54 N ATOM 2302 CA MET B 54 144.551 -4.650 -0.786 1.00 0.57 C ATOM 2303 C MET B 54 145.374 -4.971 0.466 1.00 0.52 C ATOM 2304 O MET B 54 146.455 -5.520 0.384 1.00 0.51 O ATOM 2305 CB MET B 54 144.324 -3.143 -0.906 1.00 0.70 C ATOM 2306 CG MET B 54 145.408 -2.530 -1.794 1.00 0.94 C ATOM 2307 SD MET B 54 144.718 -1.126 -2.703 1.00 0.96 S ATOM 2308 CE MET B 54 145.563 -1.437 -4.273 1.00 0.77 C ATOM 0 H MET B 54 142.424 -4.565 -0.609 1.00 0.54 H new ATOM 0 HA MET B 54 145.104 -5.049 -1.636 1.00 0.57 H new ATOM 0 HB2 MET B 54 143.339 -2.946 -1.329 1.00 0.70 H new ATOM 0 HB3 MET B 54 144.345 -2.682 0.082 1.00 0.70 H new ATOM 0 HG2 MET B 54 146.251 -2.204 -1.185 1.00 0.94 H new ATOM 0 HG3 MET B 54 145.788 -3.277 -2.491 1.00 0.94 H new ATOM 0 HE1 MET B 54 145.292 -0.664 -4.992 1.00 0.77 H new ATOM 0 HE2 MET B 54 146.641 -1.423 -4.115 1.00 0.77 H new ATOM 0 HE3 MET B 54 145.266 -2.412 -4.659 1.00 0.77 H new ATOM 2318 N ARG B 55 144.873 -4.628 1.623 1.00 0.57 N ATOM 2319 CA ARG B 55 145.630 -4.907 2.880 1.00 0.58 C ATOM 2320 C ARG B 55 146.269 -6.297 2.827 1.00 0.56 C ATOM 2321 O ARG B 55 147.470 -6.434 2.713 1.00 0.58 O ATOM 2322 CB ARG B 55 144.584 -4.838 3.994 1.00 0.69 C ATOM 2323 CG ARG B 55 145.164 -5.422 5.284 1.00 0.77 C ATOM 2324 CD ARG B 55 144.560 -4.691 6.485 1.00 1.42 C ATOM 2325 NE ARG B 55 143.421 -5.544 6.921 1.00 1.43 N ATOM 2326 CZ ARG B 55 143.402 -6.039 8.128 1.00 1.84 C ATOM 2327 NH1 ARG B 55 143.158 -5.263 9.148 1.00 2.35 N ATOM 2328 NH2 ARG B 55 143.629 -7.310 8.314 1.00 2.53 N ATOM 0 H ARG B 55 143.973 -4.167 1.753 1.00 0.57 H new ATOM 0 HA ARG B 55 146.442 -4.197 3.035 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.280 -3.804 4.156 1.00 0.69 H new ATOM 0 HB3 ARG B 55 143.691 -5.391 3.702 1.00 0.69 H new ATOM 0 HG2 ARG B 55 144.945 -6.488 5.345 1.00 0.77 H new ATOM 0 HG3 ARG B 55 146.249 -5.318 5.288 1.00 0.77 H new ATOM 0 HD2 ARG B 55 145.292 -4.572 7.284 1.00 1.42 H new ATOM 0 HD3 ARG B 55 144.222 -3.692 6.210 1.00 1.42 H new ATOM 0 HE ARG B 55 142.656 -5.742 6.276 1.00 1.43 H new ATOM 0 HH11 ARG B 55 142.982 -4.269 9.002 1.00 2.35 H new ATOM 0 HH12 ARG B 55 143.143 -5.650 10.091 1.00 2.35 H new ATOM 0 HH21 ARG B 55 143.821 -7.916 7.516 1.00 2.53 H new ATOM 0 HH22 ARG B 55 143.614 -7.698 9.257 1.00 2.53 H new ATOM 2342 N ARG B 56 145.476 -7.329 2.912 1.00 0.57 N ATOM 2343 CA ARG B 56 146.041 -8.708 2.871 1.00 0.59 C ATOM 2344 C ARG B 56 146.977 -8.865 1.668 1.00 0.53 C ATOM 2345 O ARG B 56 147.909 -9.644 1.693 1.00 0.58 O ATOM 2346 CB ARG B 56 144.829 -9.628 2.731 1.00 0.67 C ATOM 2347 CG ARG B 56 145.195 -11.032 3.217 1.00 1.04 C ATOM 2348 CD ARG B 56 144.125 -11.530 4.192 1.00 1.63 C ATOM 2349 NE ARG B 56 144.629 -11.149 5.540 1.00 2.02 N ATOM 2350 CZ ARG B 56 144.037 -11.603 6.612 1.00 2.50 C ATOM 2351 NH1 ARG B 56 143.162 -12.567 6.516 1.00 3.10 N ATOM 2352 NH2 ARG B 56 144.320 -11.092 7.779 1.00 2.99 N ATOM 0 H ARG B 56 144.462 -7.278 3.008 1.00 0.57 H new ATOM 0 HA ARG B 56 146.628 -8.939 3.760 1.00 0.59 H new ATOM 0 HB2 ARG B 56 143.993 -9.237 3.312 1.00 0.67 H new ATOM 0 HB3 ARG B 56 144.505 -9.665 1.691 1.00 0.67 H new ATOM 0 HG2 ARG B 56 145.275 -11.713 2.369 1.00 1.04 H new ATOM 0 HG3 ARG B 56 146.169 -11.017 3.706 1.00 1.04 H new ATOM 0 HD2 ARG B 56 143.158 -11.070 3.987 1.00 1.63 H new ATOM 0 HD3 ARG B 56 143.988 -12.608 4.111 1.00 1.63 H new ATOM 0 HE ARG B 56 145.437 -10.533 5.626 1.00 2.02 H new ATOM 0 HH11 ARG B 56 142.941 -12.966 5.604 1.00 3.10 H new ATOM 0 HH12 ARG B 56 142.700 -12.921 7.353 1.00 3.10 H new ATOM 0 HH21 ARG B 56 145.003 -10.338 7.854 1.00 2.99 H new ATOM 0 HH22 ARG B 56 143.858 -11.446 8.616 1.00 2.99 H new ATOM 2366 N LYS B 57 146.736 -8.133 0.614 1.00 0.51 N ATOM 2367 CA LYS B 57 147.614 -8.245 -0.587 1.00 0.53 C ATOM 2368 C LYS B 57 148.985 -7.626 -0.302 1.00 0.50 C ATOM 2369 O LYS B 57 150.006 -8.137 -0.719 1.00 0.54 O ATOM 2370 CB LYS B 57 146.890 -7.463 -1.684 1.00 0.60 C ATOM 2371 CG LYS B 57 146.279 -8.442 -2.690 1.00 0.93 C ATOM 2372 CD LYS B 57 147.256 -8.663 -3.848 1.00 0.84 C ATOM 2373 CE LYS B 57 146.510 -9.272 -5.038 1.00 1.28 C ATOM 2374 NZ LYS B 57 147.297 -10.481 -5.408 1.00 1.52 N ATOM 0 H LYS B 57 145.971 -7.463 0.532 1.00 0.51 H new ATOM 0 HA LYS B 57 147.788 -9.282 -0.874 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.110 -6.840 -1.247 1.00 0.60 H new ATOM 0 HB3 LYS B 57 147.587 -6.794 -2.189 1.00 0.60 H new ATOM 0 HG2 LYS B 57 146.058 -9.391 -2.201 1.00 0.93 H new ATOM 0 HG3 LYS B 57 145.335 -8.050 -3.067 1.00 0.93 H new ATOM 0 HD2 LYS B 57 147.713 -7.717 -4.138 1.00 0.84 H new ATOM 0 HD3 LYS B 57 148.064 -9.324 -3.535 1.00 0.84 H new ATOM 0 HE2 LYS B 57 145.486 -9.534 -4.770 1.00 1.28 H new ATOM 0 HE3 LYS B 57 146.452 -8.569 -5.869 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 146.847 -10.954 -6.218 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 148.265 -10.200 -5.665 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 147.329 -11.135 -4.600 1.00 1.52 H new ATOM 2388 N VAL B 58 149.017 -6.530 0.405 1.00 0.52 N ATOM 2389 CA VAL B 58 150.324 -5.882 0.715 1.00 0.60 C ATOM 2390 C VAL B 58 151.163 -6.792 1.617 1.00 0.61 C ATOM 2391 O VAL B 58 152.336 -7.006 1.382 1.00 0.74 O ATOM 2392 CB VAL B 58 149.963 -4.589 1.445 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.242 -3.880 1.893 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.178 -3.673 0.502 1.00 0.76 C ATOM 0 H VAL B 58 148.196 -6.055 0.781 1.00 0.52 H new ATOM 0 HA VAL B 58 150.914 -5.691 -0.182 1.00 0.60 H new ATOM 0 HB VAL B 58 149.353 -4.824 2.317 1.00 0.71 H new ATOM 0 HG11 VAL B 58 150.984 -2.958 2.414 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.803 -4.531 2.564 1.00 0.86 H new ATOM 0 HG13 VAL B 58 151.853 -3.645 1.021 1.00 0.86 H new ATOM 0 HG21 VAL B 58 148.920 -2.750 1.022 1.00 0.76 H new ATOM 0 HG22 VAL B 58 149.789 -3.439 -0.370 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.266 -4.176 0.182 1.00 0.76 H new ATOM 2404 N HIS B 59 150.571 -7.329 2.649 1.00 0.57 N ATOM 2405 CA HIS B 59 151.334 -8.224 3.566 1.00 0.67 C ATOM 2406 C HIS B 59 151.943 -9.390 2.783 1.00 0.63 C ATOM 2407 O HIS B 59 153.145 -9.565 2.745 1.00 0.71 O ATOM 2408 CB HIS B 59 150.303 -8.734 4.573 1.00 0.75 C ATOM 2409 CG HIS B 59 150.200 -7.765 5.718 1.00 0.96 C ATOM 2410 ND1 HIS B 59 151.216 -7.611 6.649 1.00 1.53 N ATOM 2411 CD2 HIS B 59 149.209 -6.894 6.098 1.00 1.68 C ATOM 2412 CE1 HIS B 59 150.817 -6.680 7.535 1.00 1.83 C ATOM 2413 NE2 HIS B 59 149.600 -6.210 7.246 1.00 1.96 N ATOM 0 H HIS B 59 149.592 -7.187 2.897 1.00 0.57 H new ATOM 0 HA HIS B 59 152.159 -7.706 4.055 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.332 -8.848 4.090 1.00 0.75 H new ATOM 0 HB3 HIS B 59 150.593 -9.718 4.940 1.00 0.75 H new ATOM 0 HD2 HIS B 59 148.269 -6.760 5.584 1.00 1.68 H new ATOM 0 HE1 HIS B 59 151.408 -6.353 8.377 1.00 1.83 H new ATOM 0 HE2 HIS B 59 149.071 -5.503 7.756 1.00 1.96 H new ATOM 2421 N THR B 60 151.123 -10.190 2.157 1.00 0.59 N ATOM 2422 CA THR B 60 151.657 -11.343 1.376 1.00 0.64 C ATOM 2423 C THR B 60 152.733 -10.864 0.398 1.00 0.59 C ATOM 2424 O THR B 60 153.875 -11.275 0.466 1.00 0.67 O ATOM 2425 CB THR B 60 150.450 -11.899 0.618 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.465 -12.328 1.549 1.00 0.74 O ATOM 2427 CG2 THR B 60 150.888 -13.082 -0.245 1.00 0.84 C ATOM 0 H THR B 60 150.107 -10.095 2.152 1.00 0.59 H new ATOM 0 HA THR B 60 152.120 -12.097 2.013 1.00 0.64 H new ATOM 0 HB THR B 60 150.032 -11.121 -0.021 1.00 0.69 H new ATOM 0 HG1 THR B 60 148.849 -11.590 1.737 1.00 0.74 H new ATOM 0 HG21 THR B 60 150.027 -13.477 -0.784 1.00 0.84 H new ATOM 0 HG22 THR B 60 151.643 -12.752 -0.958 1.00 0.84 H new ATOM 0 HG23 THR B 60 151.306 -13.862 0.392 1.00 0.84 H new ATOM 2435 N LEU B 61 152.377 -9.999 -0.512 1.00 0.52 N ATOM 2436 CA LEU B 61 153.379 -9.493 -1.495 1.00 0.55 C ATOM 2437 C LEU B 61 154.703 -9.185 -0.791 1.00 0.52 C ATOM 2438 O LEU B 61 155.765 -9.561 -1.248 1.00 0.51 O ATOM 2439 CB LEU B 61 152.765 -8.211 -2.060 1.00 0.60 C ATOM 2440 CG LEU B 61 152.083 -8.513 -3.395 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.407 -7.245 -3.919 1.00 1.05 C ATOM 2442 CD2 LEU B 61 153.128 -8.986 -4.408 1.00 1.06 C ATOM 0 H LEU B 61 151.436 -9.620 -0.618 1.00 0.52 H new ATOM 0 HA LEU B 61 153.596 -10.222 -2.276 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.042 -7.801 -1.355 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.539 -7.456 -2.198 1.00 0.60 H new ATOM 0 HG LEU B 61 151.336 -9.294 -3.252 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.920 -7.459 -4.871 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.662 -6.906 -3.199 1.00 1.05 H new ATOM 0 HD13 LEU B 61 152.156 -6.466 -4.061 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.641 -9.201 -5.359 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.875 -8.206 -4.551 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.613 -9.889 -4.036 1.00 1.06 H new ATOM 2454 N GLN B 62 154.647 -8.499 0.317 1.00 0.53 N ATOM 2455 CA GLN B 62 155.899 -8.160 1.051 1.00 0.56 C ATOM 2456 C GLN B 62 156.672 -9.432 1.409 1.00 0.56 C ATOM 2457 O GLN B 62 157.862 -9.529 1.185 1.00 0.56 O ATOM 2458 CB GLN B 62 155.431 -7.441 2.317 1.00 0.62 C ATOM 2459 CG GLN B 62 156.502 -6.445 2.763 1.00 0.69 C ATOM 2460 CD GLN B 62 157.300 -7.038 3.925 1.00 1.06 C ATOM 2461 OE1 GLN B 62 156.988 -8.108 4.409 1.00 1.52 O ATOM 2462 NE2 GLN B 62 158.325 -6.383 4.397 1.00 1.26 N ATOM 0 H GLN B 62 153.787 -8.158 0.747 1.00 0.53 H new ATOM 0 HA GLN B 62 156.571 -7.543 0.454 1.00 0.56 H new ATOM 0 HB2 GLN B 62 154.492 -6.921 2.127 1.00 0.62 H new ATOM 0 HB3 GLN B 62 155.240 -8.165 3.109 1.00 0.62 H new ATOM 0 HG2 GLN B 62 157.168 -6.214 1.931 1.00 0.69 H new ATOM 0 HG3 GLN B 62 156.037 -5.508 3.068 1.00 0.69 H new ATOM 0 HE21 GLN B 62 158.587 -5.485 3.991 1.00 1.26 H new ATOM 0 HE22 GLN B 62 158.864 -6.769 5.172 1.00 1.26 H new ATOM 2471 N GLN B 63 156.007 -10.408 1.966 1.00 0.57 N ATOM 2472 CA GLN B 63 156.711 -11.669 2.339 1.00 0.61 C ATOM 2473 C GLN B 63 157.518 -12.196 1.150 1.00 0.57 C ATOM 2474 O GLN B 63 158.588 -12.749 1.310 1.00 0.58 O ATOM 2475 CB GLN B 63 155.599 -12.651 2.714 1.00 0.65 C ATOM 2476 CG GLN B 63 155.718 -13.015 4.195 1.00 0.79 C ATOM 2477 CD GLN B 63 154.929 -12.008 5.034 1.00 1.08 C ATOM 2478 OE1 GLN B 63 153.886 -12.330 5.568 1.00 1.50 O ATOM 2479 NE2 GLN B 63 155.386 -10.793 5.173 1.00 1.50 N ATOM 0 H GLN B 63 155.010 -10.387 2.178 1.00 0.57 H new ATOM 0 HA GLN B 63 157.415 -11.522 3.158 1.00 0.61 H new ATOM 0 HB2 GLN B 63 154.624 -12.206 2.515 1.00 0.65 H new ATOM 0 HB3 GLN B 63 155.671 -13.549 2.101 1.00 0.65 H new ATOM 0 HG2 GLN B 63 155.338 -14.022 4.364 1.00 0.79 H new ATOM 0 HG3 GLN B 63 156.765 -13.015 4.497 1.00 0.79 H new ATOM 0 HE21 GLN B 63 156.262 -10.523 4.725 1.00 1.50 H new ATOM 0 HE22 GLN B 63 154.868 -10.114 5.730 1.00 1.50 H new ATOM 2488 N ASP B 64 157.016 -12.028 -0.043 1.00 0.55 N ATOM 2489 CA ASP B 64 157.757 -12.518 -1.240 1.00 0.54 C ATOM 2490 C ASP B 64 158.975 -11.630 -1.507 1.00 0.52 C ATOM 2491 O ASP B 64 159.926 -12.037 -2.147 1.00 0.52 O ATOM 2492 CB ASP B 64 156.757 -12.418 -2.394 1.00 0.53 C ATOM 2493 CG ASP B 64 157.286 -13.198 -3.598 1.00 0.67 C ATOM 2494 OD1 ASP B 64 157.954 -14.196 -3.386 1.00 1.22 O ATOM 2495 OD2 ASP B 64 157.014 -12.784 -4.713 1.00 1.39 O ATOM 0 H ASP B 64 156.125 -11.573 -0.241 1.00 0.55 H new ATOM 0 HA ASP B 64 158.127 -13.535 -1.109 1.00 0.54 H new ATOM 0 HB2 ASP B 64 155.790 -12.816 -2.086 1.00 0.53 H new ATOM 0 HB3 ASP B 64 156.601 -11.374 -2.664 1.00 0.53 H new ATOM 2500 N ILE B 65 158.958 -10.420 -1.015 1.00 0.52 N ATOM 2501 CA ILE B 65 160.120 -9.509 -1.241 1.00 0.53 C ATOM 2502 C ILE B 65 161.206 -9.791 -0.200 1.00 0.54 C ATOM 2503 O ILE B 65 162.370 -9.927 -0.523 1.00 0.57 O ATOM 2504 CB ILE B 65 159.590 -8.073 -1.082 1.00 0.56 C ATOM 2505 CG1 ILE B 65 158.117 -7.988 -1.506 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.418 -7.140 -1.968 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.692 -6.518 -1.627 1.00 0.64 C ATOM 0 H ILE B 65 158.194 -10.023 -0.468 1.00 0.52 H new ATOM 0 HA ILE B 65 160.556 -9.656 -2.229 1.00 0.53 H new ATOM 0 HB ILE B 65 159.671 -7.780 -0.035 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.974 -8.497 -2.459 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.489 -8.498 -0.775 1.00 0.55 H new ATOM 0 HG21 ILE B 65 160.051 -6.119 -1.864 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.464 -7.183 -1.664 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.329 -7.453 -3.008 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.646 -6.465 -1.928 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.818 -6.022 -0.664 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.310 -6.021 -2.375 1.00 0.64 H new ATOM 2519 N ASP B 66 160.834 -9.888 1.047 1.00 0.57 N ATOM 2520 CA ASP B 66 161.844 -10.169 2.106 1.00 0.59 C ATOM 2521 C ASP B 66 162.590 -11.464 1.780 1.00 0.58 C ATOM 2522 O ASP B 66 163.799 -11.538 1.875 1.00 0.58 O ATOM 2523 CB ASP B 66 161.036 -10.324 3.394 1.00 0.68 C ATOM 2524 CG ASP B 66 161.648 -9.451 4.490 1.00 0.89 C ATOM 2525 OD1 ASP B 66 162.125 -8.376 4.166 1.00 1.32 O ATOM 2526 OD2 ASP B 66 161.630 -9.872 5.635 1.00 1.77 O ATOM 0 H ASP B 66 159.875 -9.785 1.378 1.00 0.57 H new ATOM 0 HA ASP B 66 162.591 -9.380 2.190 1.00 0.59 H new ATOM 0 HB2 ASP B 66 159.999 -10.036 3.222 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.029 -11.368 3.708 1.00 0.68 H new ATOM 2531 N ASP B 67 161.876 -12.484 1.390 1.00 0.61 N ATOM 2532 CA ASP B 67 162.542 -13.773 1.051 1.00 0.63 C ATOM 2533 C ASP B 67 163.472 -13.580 -0.149 1.00 0.58 C ATOM 2534 O ASP B 67 164.649 -13.871 -0.086 1.00 0.66 O ATOM 2535 CB ASP B 67 161.400 -14.726 0.698 1.00 0.71 C ATOM 2536 CG ASP B 67 161.575 -16.040 1.461 1.00 1.20 C ATOM 2537 OD1 ASP B 67 162.316 -16.884 0.985 1.00 1.65 O ATOM 2538 OD2 ASP B 67 160.965 -16.180 2.508 1.00 1.88 O ATOM 0 H ASP B 67 160.861 -12.481 1.291 1.00 0.61 H new ATOM 0 HA ASP B 67 163.152 -14.155 1.870 1.00 0.63 H new ATOM 0 HB2 ASP B 67 160.442 -14.272 0.951 1.00 0.71 H new ATOM 0 HB3 ASP B 67 161.389 -14.915 -0.375 1.00 0.71 H new ATOM 2543 N LEU B 68 162.954 -13.086 -1.241 1.00 0.53 N ATOM 2544 CA LEU B 68 163.811 -12.872 -2.443 1.00 0.53 C ATOM 2545 C LEU B 68 164.946 -11.895 -2.118 1.00 0.55 C ATOM 2546 O LEU B 68 166.086 -12.109 -2.478 1.00 0.58 O ATOM 2547 CB LEU B 68 162.875 -12.274 -3.495 1.00 0.52 C ATOM 2548 CG LEU B 68 161.854 -13.326 -3.931 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.810 -12.678 -4.842 1.00 0.57 C ATOM 2550 CD2 LEU B 68 162.568 -14.444 -4.692 1.00 1.07 C ATOM 0 H LEU B 68 161.975 -12.821 -1.353 1.00 0.53 H new ATOM 0 HA LEU B 68 164.276 -13.796 -2.788 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.363 -11.403 -3.087 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.450 -11.932 -4.356 1.00 0.52 H new ATOM 0 HG LEU B 68 161.362 -13.740 -3.051 1.00 0.70 H new ATOM 0 HD11 LEU B 68 160.082 -13.428 -5.153 1.00 0.57 H new ATOM 0 HD12 LEU B 68 160.301 -11.880 -4.302 1.00 0.57 H new ATOM 0 HD13 LEU B 68 161.302 -12.264 -5.722 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.841 -15.194 -5.003 1.00 1.07 H new ATOM 0 HD22 LEU B 68 163.060 -14.029 -5.572 1.00 1.07 H new ATOM 0 HD23 LEU B 68 163.313 -14.907 -4.044 1.00 1.07 H new ATOM 2562 N LYS B 69 164.641 -10.821 -1.443 1.00 0.57 N ATOM 2563 CA LYS B 69 165.700 -9.827 -1.098 1.00 0.61 C ATOM 2564 C LYS B 69 166.917 -10.530 -0.488 1.00 0.64 C ATOM 2565 O LYS B 69 168.031 -10.370 -0.944 1.00 0.71 O ATOM 2566 CB LYS B 69 165.050 -8.898 -0.073 1.00 0.67 C ATOM 2567 CG LYS B 69 165.891 -7.628 0.072 1.00 1.43 C ATOM 2568 CD LYS B 69 165.122 -6.596 0.901 1.00 1.64 C ATOM 2569 CE LYS B 69 164.185 -5.801 -0.011 1.00 2.17 C ATOM 2570 NZ LYS B 69 163.267 -5.081 0.915 1.00 2.25 N ATOM 0 H LYS B 69 163.704 -10.587 -1.115 1.00 0.57 H new ATOM 0 HA LYS B 69 166.056 -9.286 -1.975 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.038 -8.643 -0.388 1.00 0.67 H new ATOM 0 HB3 LYS B 69 164.966 -9.403 0.889 1.00 0.67 H new ATOM 0 HG2 LYS B 69 166.841 -7.861 0.553 1.00 1.43 H new ATOM 0 HG3 LYS B 69 166.124 -7.219 -0.911 1.00 1.43 H new ATOM 0 HD2 LYS B 69 164.549 -7.096 1.682 1.00 1.64 H new ATOM 0 HD3 LYS B 69 165.819 -5.922 1.399 1.00 1.64 H new ATOM 0 HE2 LYS B 69 164.741 -5.103 -0.637 1.00 2.17 H new ATOM 0 HE3 LYS B 69 163.633 -6.460 -0.681 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 162.593 -4.513 0.363 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 162.746 -5.771 1.493 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 163.820 -4.456 1.536 1.00 2.25 H new ATOM 2584 N ARG B 70 166.713 -11.303 0.544 1.00 0.64 N ATOM 2585 CA ARG B 70 167.860 -12.010 1.185 1.00 0.70 C ATOM 2586 C ARG B 70 168.541 -12.943 0.180 1.00 0.67 C ATOM 2587 O ARG B 70 169.751 -13.048 0.137 1.00 0.71 O ATOM 2588 CB ARG B 70 167.238 -12.816 2.326 1.00 0.78 C ATOM 2589 CG ARG B 70 168.153 -12.753 3.550 1.00 1.17 C ATOM 2590 CD ARG B 70 167.431 -12.038 4.693 1.00 1.29 C ATOM 2591 NE ARG B 70 168.007 -12.624 5.935 1.00 1.57 N ATOM 2592 CZ ARG B 70 168.758 -11.895 6.714 1.00 2.02 C ATOM 2593 NH1 ARG B 70 170.027 -11.747 6.447 1.00 2.36 N ATOM 2594 NH2 ARG B 70 168.240 -11.313 7.761 1.00 2.75 N ATOM 0 H ARG B 70 165.803 -11.476 0.971 1.00 0.64 H new ATOM 0 HA ARG B 70 168.623 -11.318 1.540 1.00 0.70 H new ATOM 0 HB2 ARG B 70 166.254 -12.418 2.573 1.00 0.78 H new ATOM 0 HB3 ARG B 70 167.095 -13.852 2.018 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.435 -13.760 3.858 1.00 1.17 H new ATOM 0 HG3 ARG B 70 169.074 -12.226 3.302 1.00 1.17 H new ATOM 0 HD2 ARG B 70 167.594 -10.961 4.651 1.00 1.29 H new ATOM 0 HD3 ARG B 70 166.354 -12.199 4.642 1.00 1.29 H new ATOM 0 HE ARG B 70 167.814 -13.596 6.177 1.00 1.57 H new ATOM 0 HH11 ARG B 70 170.432 -12.201 5.629 1.00 2.36 H new ATOM 0 HH12 ARG B 70 170.613 -11.177 7.057 1.00 2.36 H new ATOM 0 HH21 ARG B 70 167.248 -11.428 7.970 1.00 2.75 H new ATOM 0 HH22 ARG B 70 168.827 -10.743 8.370 1.00 2.75 H new ATOM 2608 N GLN B 71 167.773 -13.622 -0.626 1.00 0.65 N ATOM 2609 CA GLN B 71 168.372 -14.552 -1.628 1.00 0.68 C ATOM 2610 C GLN B 71 169.473 -13.838 -2.422 1.00 0.58 C ATOM 2611 O GLN B 71 170.644 -13.974 -2.130 1.00 0.58 O ATOM 2612 CB GLN B 71 167.206 -14.946 -2.535 1.00 0.73 C ATOM 2613 CG GLN B 71 166.213 -15.801 -1.745 1.00 1.13 C ATOM 2614 CD GLN B 71 166.829 -17.172 -1.462 1.00 1.30 C ATOM 2615 OE1 GLN B 71 167.952 -17.437 -1.841 1.00 2.00 O ATOM 2616 NE2 GLN B 71 166.135 -18.063 -0.806 1.00 1.72 N ATOM 0 H GLN B 71 166.754 -13.574 -0.635 1.00 0.65 H new ATOM 0 HA GLN B 71 168.839 -15.422 -1.168 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.711 -14.053 -2.917 1.00 0.73 H new ATOM 0 HB3 GLN B 71 167.574 -15.501 -3.398 1.00 0.73 H new ATOM 0 HG2 GLN B 71 165.956 -15.306 -0.808 1.00 1.13 H new ATOM 0 HG3 GLN B 71 165.287 -15.916 -2.309 1.00 1.13 H new ATOM 0 HE21 GLN B 71 165.192 -17.841 -0.487 1.00 1.72 H new ATOM 0 HE22 GLN B 71 166.536 -18.981 -0.612 1.00 1.72 H new ATOM 2625 N ASN B 72 169.105 -13.078 -3.421 1.00 0.54 N ATOM 2626 CA ASN B 72 170.129 -12.349 -4.230 1.00 0.50 C ATOM 2627 C ASN B 72 171.229 -11.790 -3.317 1.00 0.46 C ATOM 2628 O ASN B 72 172.364 -11.636 -3.721 1.00 0.46 O ATOM 2629 CB ASN B 72 169.342 -11.215 -4.903 1.00 0.52 C ATOM 2630 CG ASN B 72 170.242 -9.991 -5.127 1.00 0.50 C ATOM 2631 OD1 ASN B 72 170.646 -9.698 -6.333 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 170.579 -9.293 -4.191 1.00 0.67 N flip ATOM 0 H ASN B 72 168.139 -12.930 -3.712 1.00 0.54 H new ATOM 0 HA ASN B 72 170.630 -12.989 -4.956 1.00 0.50 H new ATOM 0 HB2 ASN B 72 168.943 -11.559 -5.857 1.00 0.52 H new ATOM 0 HB3 ASN B 72 168.490 -10.938 -4.282 1.00 0.52 H new ATOM 0 HD21 ASN B 72 170.265 -9.519 -3.247 1.00 0.67 H new ATOM 0 HD22 ASN B 72 171.176 -8.481 -4.349 1.00 0.67 H new ATOM 2639 N ALA B 73 170.899 -11.481 -2.094 1.00 0.50 N ATOM 2640 CA ALA B 73 171.926 -10.930 -1.166 1.00 0.54 C ATOM 2641 C ALA B 73 173.068 -11.934 -1.005 1.00 0.54 C ATOM 2642 O ALA B 73 174.190 -11.682 -1.398 1.00 0.57 O ATOM 2643 CB ALA B 73 171.196 -10.724 0.161 1.00 0.64 C ATOM 0 H ALA B 73 169.965 -11.586 -1.698 1.00 0.50 H new ATOM 0 HA ALA B 73 172.364 -10.001 -1.531 1.00 0.54 H new ATOM 0 HB1 ALA B 73 171.889 -10.319 0.898 1.00 0.64 H new ATOM 0 HB2 ALA B 73 170.370 -10.027 0.018 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.807 -11.679 0.515 1.00 0.64 H new ATOM 2649 N LEU B 74 172.787 -13.074 -0.440 1.00 0.54 N ATOM 2650 CA LEU B 74 173.851 -14.101 -0.265 1.00 0.57 C ATOM 2651 C LEU B 74 174.107 -14.807 -1.599 1.00 0.52 C ATOM 2652 O LEU B 74 175.185 -15.309 -1.853 1.00 0.54 O ATOM 2653 CB LEU B 74 173.287 -15.080 0.765 1.00 0.60 C ATOM 2654 CG LEU B 74 171.907 -15.559 0.312 1.00 0.76 C ATOM 2655 CD1 LEU B 74 171.941 -17.070 0.078 1.00 1.30 C ATOM 2656 CD2 LEU B 74 170.874 -15.234 1.392 1.00 0.94 C ATOM 0 H LEU B 74 171.866 -13.339 -0.091 1.00 0.54 H new ATOM 0 HA LEU B 74 174.800 -13.675 0.061 1.00 0.57 H new ATOM 0 HB2 LEU B 74 173.959 -15.930 0.880 1.00 0.60 H new ATOM 0 HB3 LEU B 74 173.214 -14.597 1.739 1.00 0.60 H new ATOM 0 HG LEU B 74 171.635 -15.054 -0.615 1.00 0.76 H new ATOM 0 HD11 LEU B 74 170.957 -17.410 -0.245 1.00 1.30 H new ATOM 0 HD12 LEU B 74 172.676 -17.302 -0.692 1.00 1.30 H new ATOM 0 HD13 LEU B 74 172.214 -17.576 1.004 1.00 1.30 H new ATOM 0 HD21 LEU B 74 169.890 -15.575 1.069 1.00 0.94 H new ATOM 0 HD22 LEU B 74 171.147 -15.738 2.319 1.00 0.94 H new ATOM 0 HD23 LEU B 74 170.848 -14.157 1.558 1.00 0.94 H new ATOM 2668 N LEU B 75 173.122 -14.838 -2.457 1.00 0.48 N ATOM 2669 CA LEU B 75 173.302 -15.499 -3.779 1.00 0.46 C ATOM 2670 C LEU B 75 174.433 -14.814 -4.549 1.00 0.45 C ATOM 2671 O LEU B 75 175.315 -15.456 -5.083 1.00 0.49 O ATOM 2672 CB LEU B 75 171.971 -15.297 -4.501 1.00 0.46 C ATOM 2673 CG LEU B 75 171.115 -16.559 -4.387 1.00 0.50 C ATOM 2674 CD1 LEU B 75 169.658 -16.158 -4.168 1.00 0.52 C ATOM 2675 CD2 LEU B 75 171.219 -17.370 -5.681 1.00 0.50 C ATOM 0 H LEU B 75 172.200 -14.433 -2.297 1.00 0.48 H new ATOM 0 HA LEU B 75 173.563 -16.554 -3.688 1.00 0.46 H new ATOM 0 HB2 LEU B 75 171.440 -14.448 -4.071 1.00 0.46 H new ATOM 0 HB3 LEU B 75 172.149 -15.063 -5.550 1.00 0.46 H new ATOM 0 HG LEU B 75 171.467 -17.161 -3.549 1.00 0.50 H new ATOM 0 HD11 LEU B 75 169.042 -17.054 -4.086 1.00 0.52 H new ATOM 0 HD12 LEU B 75 169.575 -15.575 -3.251 1.00 0.52 H new ATOM 0 HD13 LEU B 75 169.315 -15.558 -5.011 1.00 0.52 H new ATOM 0 HD21 LEU B 75 170.608 -18.269 -5.597 1.00 0.50 H new ATOM 0 HD22 LEU B 75 170.865 -16.767 -6.518 1.00 0.50 H new ATOM 0 HD23 LEU B 75 172.258 -17.652 -5.851 1.00 0.50 H new ATOM 2687 N GLU B 76 174.409 -13.509 -4.605 1.00 0.50 N ATOM 2688 CA GLU B 76 175.480 -12.771 -5.335 1.00 0.54 C ATOM 2689 C GLU B 76 176.784 -12.826 -4.538 1.00 0.57 C ATOM 2690 O GLU B 76 177.863 -12.870 -5.095 1.00 0.59 O ATOM 2691 CB GLU B 76 174.970 -11.333 -5.433 1.00 0.64 C ATOM 2692 CG GLU B 76 175.996 -10.476 -6.177 1.00 0.68 C ATOM 2693 CD GLU B 76 175.723 -8.997 -5.897 1.00 0.73 C ATOM 2694 OE1 GLU B 76 174.843 -8.717 -5.099 1.00 1.35 O ATOM 2695 OE2 GLU B 76 176.397 -8.168 -6.486 1.00 1.30 O ATOM 0 H GLU B 76 173.693 -12.922 -4.176 1.00 0.50 H new ATOM 0 HA GLU B 76 175.686 -13.196 -6.317 1.00 0.54 H new ATOM 0 HB2 GLU B 76 174.014 -11.310 -5.956 1.00 0.64 H new ATOM 0 HB3 GLU B 76 174.798 -10.928 -4.436 1.00 0.64 H new ATOM 0 HG2 GLU B 76 177.005 -10.738 -5.857 1.00 0.68 H new ATOM 0 HG3 GLU B 76 175.940 -10.671 -7.248 1.00 0.68 H new ATOM 2702 N GLN B 77 176.691 -12.829 -3.236 1.00 0.65 N ATOM 2703 CA GLN B 77 177.923 -12.888 -2.399 1.00 0.74 C ATOM 2704 C GLN B 77 178.723 -14.151 -2.733 1.00 0.69 C ATOM 2705 O GLN B 77 179.887 -14.269 -2.400 1.00 0.74 O ATOM 2706 CB GLN B 77 177.419 -12.938 -0.957 1.00 0.86 C ATOM 2707 CG GLN B 77 177.050 -11.527 -0.493 1.00 1.31 C ATOM 2708 CD GLN B 77 177.906 -11.148 0.716 1.00 1.40 C ATOM 2709 OE1 GLN B 77 178.615 -11.974 1.256 1.00 2.10 O ATOM 2710 NE2 GLN B 77 177.871 -9.925 1.168 1.00 1.83 N ATOM 0 H GLN B 77 175.815 -12.793 -2.716 1.00 0.65 H new ATOM 0 HA GLN B 77 178.583 -12.037 -2.570 1.00 0.74 H new ATOM 0 HB2 GLN B 77 176.551 -13.593 -0.887 1.00 0.86 H new ATOM 0 HB3 GLN B 77 178.187 -13.356 -0.307 1.00 0.86 H new ATOM 0 HG2 GLN B 77 177.208 -10.814 -1.302 1.00 1.31 H new ATOM 0 HG3 GLN B 77 175.993 -11.483 -0.232 1.00 1.31 H new ATOM 0 HE21 GLN B 77 177.276 -9.231 0.715 1.00 1.83 H new ATOM 0 HE22 GLN B 77 178.438 -9.663 1.974 1.00 1.83 H new ATOM 2719 N GLN B 78 178.114 -15.085 -3.412 1.00 0.61 N ATOM 2720 CA GLN B 78 178.843 -16.327 -3.787 1.00 0.61 C ATOM 2721 C GLN B 78 179.140 -16.261 -5.276 1.00 0.53 C ATOM 2722 O GLN B 78 180.189 -16.659 -5.742 1.00 0.56 O ATOM 2723 CB GLN B 78 177.881 -17.474 -3.473 1.00 0.65 C ATOM 2724 CG GLN B 78 178.555 -18.809 -3.795 1.00 0.73 C ATOM 2725 CD GLN B 78 178.904 -19.533 -2.493 1.00 1.14 C ATOM 2726 OE1 GLN B 78 178.028 -19.972 -1.775 1.00 1.98 O ATOM 2727 NE2 GLN B 78 180.157 -19.677 -2.156 1.00 1.54 N ATOM 0 H GLN B 78 177.143 -15.040 -3.723 1.00 0.61 H new ATOM 0 HA GLN B 78 179.785 -16.458 -3.254 1.00 0.61 H new ATOM 0 HB2 GLN B 78 177.593 -17.444 -2.422 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.967 -17.366 -4.057 1.00 0.65 H new ATOM 0 HG2 GLN B 78 177.891 -19.427 -4.400 1.00 0.73 H new ATOM 0 HG3 GLN B 78 179.457 -18.640 -4.383 1.00 0.73 H new ATOM 0 HE21 GLN B 78 180.893 -19.309 -2.759 1.00 1.54 H new ATOM 0 HE22 GLN B 78 180.400 -20.158 -1.290 1.00 1.54 H new ATOM 2736 N VAL B 79 178.218 -15.722 -6.014 1.00 0.46 N ATOM 2737 CA VAL B 79 178.414 -15.570 -7.473 1.00 0.48 C ATOM 2738 C VAL B 79 179.554 -14.572 -7.717 1.00 0.50 C ATOM 2739 O VAL B 79 180.131 -14.516 -8.785 1.00 0.59 O ATOM 2740 CB VAL B 79 177.057 -15.045 -7.966 1.00 0.56 C ATOM 2741 CG1 VAL B 79 177.247 -13.946 -9.008 1.00 0.77 C ATOM 2742 CG2 VAL B 79 176.268 -16.199 -8.588 1.00 0.50 C ATOM 0 H VAL B 79 177.325 -15.376 -5.662 1.00 0.46 H new ATOM 0 HA VAL B 79 178.695 -16.485 -7.994 1.00 0.48 H new ATOM 0 HB VAL B 79 176.513 -14.630 -7.117 1.00 0.56 H new ATOM 0 HG11 VAL B 79 176.273 -13.590 -9.343 1.00 0.77 H new ATOM 0 HG12 VAL B 79 177.804 -13.119 -8.567 1.00 0.77 H new ATOM 0 HG13 VAL B 79 177.800 -14.343 -9.859 1.00 0.77 H new ATOM 0 HG21 VAL B 79 175.304 -15.832 -8.940 1.00 0.50 H new ATOM 0 HG22 VAL B 79 176.828 -16.612 -9.427 1.00 0.50 H new ATOM 0 HG23 VAL B 79 176.110 -16.976 -7.840 1.00 0.50 H new ATOM 2752 N ARG B 80 179.883 -13.791 -6.722 1.00 0.61 N ATOM 2753 CA ARG B 80 180.988 -12.802 -6.878 1.00 0.74 C ATOM 2754 C ARG B 80 182.200 -13.241 -6.050 1.00 0.75 C ATOM 2755 O ARG B 80 183.325 -12.891 -6.346 1.00 0.88 O ATOM 2756 CB ARG B 80 180.422 -11.480 -6.352 1.00 0.86 C ATOM 2757 CG ARG B 80 180.355 -11.516 -4.823 1.00 0.93 C ATOM 2758 CD ARG B 80 181.509 -10.694 -4.242 1.00 1.14 C ATOM 2759 NE ARG B 80 180.888 -9.851 -3.181 1.00 1.71 N ATOM 2760 CZ ARG B 80 180.916 -8.550 -3.281 1.00 1.94 C ATOM 2761 NH1 ARG B 80 182.060 -7.923 -3.324 1.00 1.96 N ATOM 2762 NH2 ARG B 80 179.801 -7.876 -3.338 1.00 2.75 N ATOM 0 H ARG B 80 179.433 -13.796 -5.807 1.00 0.61 H new ATOM 0 HA ARG B 80 181.322 -12.712 -7.912 1.00 0.74 H new ATOM 0 HB2 ARG B 80 181.049 -10.650 -6.678 1.00 0.86 H new ATOM 0 HB3 ARG B 80 179.428 -11.310 -6.765 1.00 0.86 H new ATOM 0 HG2 ARG B 80 179.401 -11.116 -4.481 1.00 0.93 H new ATOM 0 HG3 ARG B 80 180.414 -12.546 -4.470 1.00 0.93 H new ATOM 0 HD2 ARG B 80 182.284 -11.339 -3.829 1.00 1.14 H new ATOM 0 HD3 ARG B 80 181.981 -10.079 -5.009 1.00 1.14 H new ATOM 0 HE ARG B 80 180.441 -10.291 -2.377 1.00 1.71 H new ATOM 0 HH11 ARG B 80 182.932 -8.450 -3.279 1.00 1.96 H new ATOM 0 HH12 ARG B 80 182.082 -6.906 -3.402 1.00 1.96 H new ATOM 0 HH21 ARG B 80 178.907 -8.366 -3.304 1.00 2.75 H new ATOM 0 HH22 ARG B 80 179.823 -6.859 -3.416 1.00 2.75 H new ATOM 2776 N ALA B 81 181.979 -14.012 -5.019 1.00 0.70 N ATOM 2777 CA ALA B 81 183.120 -14.478 -4.180 1.00 0.78 C ATOM 2778 C ALA B 81 183.479 -15.926 -4.534 1.00 0.80 C ATOM 2779 O ALA B 81 184.150 -16.610 -3.788 1.00 1.15 O ATOM 2780 CB ALA B 81 182.615 -14.387 -2.740 1.00 0.87 C ATOM 0 H ALA B 81 181.059 -14.339 -4.722 1.00 0.70 H new ATOM 0 HA ALA B 81 184.019 -13.881 -4.335 1.00 0.78 H new ATOM 0 HB1 ALA B 81 183.400 -14.714 -2.058 1.00 0.87 H new ATOM 0 HB2 ALA B 81 182.344 -13.356 -2.514 1.00 0.87 H new ATOM 0 HB3 ALA B 81 181.740 -15.026 -2.620 1.00 0.87 H new ATOM 2786 N LEU B 82 183.032 -16.397 -5.668 1.00 0.77 N ATOM 2787 CA LEU B 82 183.342 -17.801 -6.071 1.00 0.78 C ATOM 2788 C LEU B 82 183.244 -17.946 -7.595 1.00 0.76 C ATOM 2789 O LEU B 82 182.861 -18.975 -8.109 1.00 0.86 O ATOM 2790 CB LEU B 82 182.273 -18.652 -5.368 1.00 0.76 C ATOM 2791 CG LEU B 82 182.566 -20.160 -5.508 1.00 0.75 C ATOM 2792 CD1 LEU B 82 181.745 -20.735 -6.665 1.00 1.08 C ATOM 2793 CD2 LEU B 82 184.057 -20.409 -5.773 1.00 0.99 C ATOM 0 H LEU B 82 182.466 -15.870 -6.333 1.00 0.77 H new ATOM 0 HA LEU B 82 184.351 -18.106 -5.793 1.00 0.78 H new ATOM 0 HB2 LEU B 82 182.231 -18.385 -4.312 1.00 0.76 H new ATOM 0 HB3 LEU B 82 181.294 -18.430 -5.792 1.00 0.76 H new ATOM 0 HG LEU B 82 182.292 -20.650 -4.574 1.00 0.75 H new ATOM 0 HD11 LEU B 82 181.952 -21.801 -6.764 1.00 1.08 H new ATOM 0 HD12 LEU B 82 180.683 -20.589 -6.466 1.00 1.08 H new ATOM 0 HD13 LEU B 82 182.014 -20.226 -7.590 1.00 1.08 H new ATOM 0 HD21 LEU B 82 184.236 -21.480 -5.868 1.00 0.99 H new ATOM 0 HD22 LEU B 82 184.351 -19.909 -6.696 1.00 0.99 H new ATOM 0 HD23 LEU B 82 184.645 -20.015 -4.944 1.00 0.99 H new ATOM 2805 N GLU B 83 183.591 -16.921 -8.324 1.00 0.70 N ATOM 2806 CA GLU B 83 183.517 -17.011 -9.811 1.00 0.77 C ATOM 2807 C GLU B 83 184.626 -17.924 -10.342 1.00 0.88 C ATOM 2808 O GLU B 83 185.328 -18.567 -9.588 1.00 1.35 O ATOM 2809 CB GLU B 83 183.715 -15.579 -10.306 1.00 0.91 C ATOM 2810 CG GLU B 83 182.601 -15.223 -11.292 1.00 1.29 C ATOM 2811 CD GLU B 83 182.903 -13.868 -11.937 1.00 1.73 C ATOM 2812 OE1 GLU B 83 183.460 -13.022 -11.257 1.00 2.22 O ATOM 2813 OE2 GLU B 83 182.572 -13.701 -13.099 1.00 2.26 O ATOM 0 H GLU B 83 183.921 -16.028 -7.957 1.00 0.70 H new ATOM 0 HA GLU B 83 182.571 -17.431 -10.153 1.00 0.77 H new ATOM 0 HB2 GLU B 83 183.705 -14.887 -9.464 1.00 0.91 H new ATOM 0 HB3 GLU B 83 184.688 -15.480 -10.788 1.00 0.91 H new ATOM 0 HG2 GLU B 83 182.520 -15.993 -12.059 1.00 1.29 H new ATOM 0 HG3 GLU B 83 181.642 -15.186 -10.775 1.00 1.29 H new ATOM 2820 N GLY B 84 184.789 -17.985 -11.636 1.00 1.02 N ATOM 2821 CA GLY B 84 185.854 -18.856 -12.211 1.00 1.25 C ATOM 2822 C GLY B 84 185.216 -20.078 -12.873 1.00 1.34 C ATOM 2823 O GLY B 84 184.040 -20.088 -13.180 1.00 1.76 O ATOM 0 H GLY B 84 184.232 -17.471 -12.318 1.00 1.02 H new ATOM 0 HA2 GLY B 84 186.439 -18.298 -12.942 1.00 1.25 H new ATOM 0 HA3 GLY B 84 186.542 -19.172 -11.427 1.00 1.25 H new ATOM 2827 N SER B 85 185.983 -21.111 -13.095 1.00 1.72 N ATOM 2828 CA SER B 85 185.423 -22.335 -13.738 1.00 2.05 C ATOM 2829 C SER B 85 184.953 -23.325 -12.669 1.00 1.86 C ATOM 2830 O SER B 85 185.643 -23.583 -11.702 1.00 2.09 O ATOM 2831 CB SER B 85 186.581 -22.926 -14.541 1.00 2.40 C ATOM 2832 OG SER B 85 187.116 -21.927 -15.398 1.00 3.11 O ATOM 0 H SER B 85 186.974 -21.160 -12.859 1.00 1.72 H new ATOM 0 HA SER B 85 184.561 -22.113 -14.368 1.00 2.05 H new ATOM 0 HB2 SER B 85 187.354 -23.296 -13.868 1.00 2.40 H new ATOM 0 HB3 SER B 85 186.235 -23.777 -15.127 1.00 2.40 H new ATOM 0 HG SER B 85 187.860 -22.302 -15.913 1.00 3.11 H new ATOM 2838 N GLY B 86 183.785 -23.881 -12.834 1.00 2.06 N ATOM 2839 CA GLY B 86 183.273 -24.853 -11.826 1.00 2.04 C ATOM 2840 C GLY B 86 184.389 -25.824 -11.438 1.00 1.94 C ATOM 2841 O GLY B 86 184.672 -26.775 -12.141 1.00 2.16 O ATOM 0 H GLY B 86 183.163 -23.705 -13.623 1.00 2.06 H new ATOM 0 HA2 GLY B 86 182.915 -24.323 -10.943 1.00 2.04 H new ATOM 0 HA3 GLY B 86 182.424 -25.402 -12.234 1.00 2.04 H new ATOM 2845 N CYS B 87 185.028 -25.594 -10.323 1.00 2.04 N ATOM 2846 CA CYS B 87 186.126 -26.506 -9.891 1.00 2.25 C ATOM 2847 C CYS B 87 185.649 -27.408 -8.750 1.00 2.92 C ATOM 2848 O CYS B 87 184.468 -27.710 -8.713 1.00 3.46 O ATOM 2849 CB CYS B 87 187.242 -25.580 -9.410 1.00 2.29 C ATOM 2850 SG CYS B 87 188.626 -25.651 -10.573 1.00 2.53 S ATOM 2851 OXT CYS B 87 186.474 -27.781 -7.932 1.00 3.35 O ATOM 0 H CYS B 87 184.838 -24.815 -9.693 1.00 2.04 H new ATOM 0 HA CYS B 87 186.458 -27.162 -10.696 1.00 2.25 H new ATOM 0 HB2 CYS B 87 186.872 -24.558 -9.330 1.00 2.29 H new ATOM 0 HB3 CYS B 87 187.573 -25.878 -8.415 1.00 2.29 H new TER 2856 CYS B 87