USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 771 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 -19 HIS : no HE2:sc= -2.56! K(o=-2.1!,f=-3.2) USER MOD Set 1.2: A -24 HIS : no HE2:sc= 0.469 K(o=-2.1,f=-5.4!) USER MOD Set 2.1: A 26 TYR OH : rot 83:sc= -2.18! USER MOD Set 2.2: A 40 GLN : amide:sc= 0.0213 K(o=-2.2,f=-4.2!) USER MOD Set 3.1: A 23 GLN : amide:sc= 0.99 K(o=1.4,f=-0.96) USER MOD Set 3.2: A 24 THR OG1 : rot -102:sc= 0.419 USER MOD Set 4.1: A -6 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Set 4.2: A 32 HIS : no HD1:sc= 0 X(o=-0.32,f=0) USER MOD Set 5.1: A 6 HIS : no HE2:sc= 0.711 K(o=1.5,f=-8.4!) USER MOD Set 5.2: A 36 TYR OH : rot 180:sc= 0.807 USER MOD Single : A 9 SER OG : rot 82:sc= 1.1 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl 172:sc= -0.0787 (180deg=-0.149) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.401 K(o=0.4,f=-0.89) USER MOD Single : A 13 GLN : amide:sc= 0.0134 X(o=0.013,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0717 X(o=-0.072,f=-0.38) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 35:sc= 0.735 USER MOD Single : A 29 ASN : amide:sc= 0.11 K(o=0.11,f=-5.5!) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.192) USER MOD Single : A 43 SER OG : rot 89:sc= 1.25 USER MOD Single : A 44 SER OG : rot -90:sc= 1.27 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.876 K(o=0.88,f=-6!) USER MOD Single : A 58 MET CE :methyl 148:sc= -1.04 (180deg=-2.86!) USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= 0.957 (180deg=0.166) USER MOD Single : A 61 SER OG : rot -111:sc= 0.735 USER MOD Single : A 65 SER OG : rot 180:sc= -0.32 USER MOD Single : A 69 ASN : amide:sc=-0.00135 X(o=-0.0013,f=-0.0013) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.579 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00557 USER MOD Single : A 79 SER OG : rot 180:sc= 0.134 USER MOD Single : A -10 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.2!) USER MOD Single : A -12 THR OG1 : rot 80:sc= 1.38 USER MOD Single : A -13 THR OG1 : rot 180:sc= 0 USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -20 HIS : no HE2:sc= 0.537 K(o=0.54,f=-6!) USER MOD Single : A -21 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.67) USER MOD Single : A -22 HIS : no HD1:sc=-0.00199 X(o=-0.002,f=-0.002) USER MOD Single : A -23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot -77:sc= 1.16 USER MOD Single : A -27 SER N :NH3+ -108:sc= 0.742 (180deg=0.0125) USER MOD Single : A -27 SER OG : rot 180:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -31.141 18.875 -6.732 1.00 0.00 N ATOM 2 CA SER A -27 -29.877 19.225 -6.022 1.00 0.00 C ATOM 3 C SER A -27 -28.961 17.994 -5.951 1.00 0.00 C ATOM 4 O SER A -27 -29.149 17.116 -5.125 1.00 0.00 O ATOM 5 CB SER A -27 -30.303 19.662 -4.611 1.00 0.00 C ATOM 6 OG SER A -27 -31.728 19.709 -4.525 1.00 0.00 O ATOM 0 H1 SER A -27 -31.146 19.320 -7.672 1.00 0.00 H new ATOM 0 H2 SER A -27 -31.206 17.842 -6.837 1.00 0.00 H new ATOM 0 H3 SER A -27 -31.954 19.219 -6.182 1.00 0.00 H new ATOM 0 HA SER A -27 -29.324 20.013 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A -27 -29.908 18.966 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A -27 -29.884 20.642 -4.382 1.00 0.00 H new ATOM 0 HG SER A -27 -31.992 19.986 -3.623 1.00 0.00 H new ATOM 14 N TYR A -26 -27.971 17.921 -6.804 1.00 0.00 N ATOM 15 CA TYR A -26 -27.044 16.752 -6.774 1.00 0.00 C ATOM 16 C TYR A -26 -25.634 17.193 -7.207 1.00 0.00 C ATOM 17 O TYR A -26 -24.991 17.930 -6.490 1.00 0.00 O ATOM 18 CB TYR A -26 -27.660 15.706 -7.718 1.00 0.00 C ATOM 19 CG TYR A -26 -27.192 14.333 -7.297 1.00 0.00 C ATOM 20 CD1 TYR A -26 -27.651 13.782 -6.094 1.00 0.00 C ATOM 21 CD2 TYR A -26 -26.298 13.616 -8.100 1.00 0.00 C ATOM 22 CE1 TYR A -26 -27.218 12.515 -5.693 1.00 0.00 C ATOM 23 CE2 TYR A -26 -25.862 12.350 -7.699 1.00 0.00 C ATOM 24 CZ TYR A -26 -26.324 11.797 -6.494 1.00 0.00 C ATOM 25 OH TYR A -26 -25.896 10.543 -6.099 1.00 0.00 O ATOM 0 H TYR A -26 -27.766 18.620 -7.518 1.00 0.00 H new ATOM 0 HA TYR A -26 -26.929 16.327 -5.777 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -28.748 15.761 -7.683 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -27.364 15.906 -8.748 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -28.341 14.337 -5.475 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -25.945 14.040 -9.028 1.00 0.00 H new ATOM 0 HE1 TYR A -26 -27.573 12.091 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -25.170 11.797 -8.316 1.00 0.00 H new ATOM 0 HH TYR A -26 -25.218 10.635 -5.398 1.00 0.00 H new ATOM 35 N TYR A -25 -25.149 16.759 -8.356 1.00 0.00 N ATOM 36 CA TYR A -25 -23.774 17.150 -8.820 1.00 0.00 C ATOM 37 C TYR A -25 -22.719 16.593 -7.857 1.00 0.00 C ATOM 38 O TYR A -25 -21.980 15.693 -8.203 1.00 0.00 O ATOM 39 CB TYR A -25 -23.745 18.688 -8.861 1.00 0.00 C ATOM 40 CG TYR A -25 -24.186 19.156 -10.226 1.00 0.00 C ATOM 41 CD1 TYR A -25 -25.533 19.071 -10.595 1.00 0.00 C ATOM 42 CD2 TYR A -25 -23.246 19.669 -11.126 1.00 0.00 C ATOM 43 CE1 TYR A -25 -25.940 19.502 -11.862 1.00 0.00 C ATOM 44 CE2 TYR A -25 -23.651 20.099 -12.393 1.00 0.00 C ATOM 45 CZ TYR A -25 -25.001 20.016 -12.762 1.00 0.00 C ATOM 46 OH TYR A -25 -25.410 20.441 -14.014 1.00 0.00 O ATOM 0 H TYR A -25 -25.654 16.145 -8.995 1.00 0.00 H new ATOM 0 HA TYR A -25 -23.549 16.743 -9.806 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -24.402 19.097 -8.093 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -22.740 19.051 -8.646 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -26.259 18.673 -9.901 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -22.206 19.733 -10.842 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -26.980 19.438 -12.145 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -22.924 20.495 -13.087 1.00 0.00 H new ATOM 0 HH TYR A -25 -24.636 20.771 -14.516 1.00 0.00 H new ATOM 56 N HIS A -24 -22.663 17.102 -6.650 1.00 0.00 N ATOM 57 CA HIS A -24 -21.680 16.599 -5.638 1.00 0.00 C ATOM 58 C HIS A -24 -20.268 16.515 -6.239 1.00 0.00 C ATOM 59 O HIS A -24 -19.685 15.446 -6.324 1.00 0.00 O ATOM 60 CB HIS A -24 -22.189 15.200 -5.249 1.00 0.00 C ATOM 61 CG HIS A -24 -23.504 15.302 -4.517 1.00 0.00 C ATOM 62 ND1 HIS A -24 -24.216 14.181 -4.114 1.00 0.00 N ATOM 63 CD2 HIS A -24 -24.248 16.382 -4.108 1.00 0.00 C ATOM 64 CE1 HIS A -24 -25.327 14.610 -3.493 1.00 0.00 C ATOM 65 NE2 HIS A -24 -25.396 15.941 -3.461 1.00 0.00 N ATOM 0 H HIS A -24 -23.265 17.855 -6.318 1.00 0.00 H new ATOM 0 HA HIS A -24 -21.608 17.263 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -22.310 14.589 -6.143 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -21.453 14.701 -4.619 1.00 0.00 H new ATOM 0 HD1 HIS A -24 -23.945 13.209 -4.262 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -23.981 17.417 -4.265 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -26.075 13.955 -3.070 1.00 0.00 H new ATOM 73 N HIS A -23 -19.711 17.634 -6.647 1.00 0.00 N ATOM 74 CA HIS A -23 -18.330 17.633 -7.238 1.00 0.00 C ATOM 75 C HIS A -23 -18.279 16.734 -8.480 1.00 0.00 C ATOM 76 O HIS A -23 -19.284 16.501 -9.124 1.00 0.00 O ATOM 77 CB HIS A -23 -17.419 17.093 -6.128 1.00 0.00 C ATOM 78 CG HIS A -23 -16.392 18.131 -5.769 1.00 0.00 C ATOM 79 ND1 HIS A -23 -16.717 19.281 -5.064 1.00 0.00 N ATOM 80 CD2 HIS A -23 -15.045 18.212 -6.017 1.00 0.00 C ATOM 81 CE1 HIS A -23 -15.586 19.996 -4.910 1.00 0.00 C ATOM 82 NE2 HIS A -23 -14.538 19.388 -5.472 1.00 0.00 N ATOM 0 H HIS A -23 -20.155 18.551 -6.596 1.00 0.00 H new ATOM 0 HA HIS A -23 -18.020 18.626 -7.564 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -18.012 16.835 -5.251 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -16.926 16.179 -6.460 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -14.466 17.475 -6.554 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -15.533 20.944 -4.395 1.00 0.00 H new ATOM 0 HE2 HIS A -23 -13.572 19.716 -5.497 1.00 0.00 H new ATOM 90 N HIS A -22 -17.120 16.243 -8.838 1.00 0.00 N ATOM 91 CA HIS A -22 -17.019 15.369 -10.051 1.00 0.00 C ATOM 92 C HIS A -22 -17.600 13.985 -9.742 1.00 0.00 C ATOM 93 O HIS A -22 -18.571 13.559 -10.343 1.00 0.00 O ATOM 94 CB HIS A -22 -15.522 15.268 -10.378 1.00 0.00 C ATOM 95 CG HIS A -22 -14.934 16.641 -10.547 1.00 0.00 C ATOM 96 ND1 HIS A -22 -15.517 17.609 -11.350 1.00 0.00 N ATOM 97 CD2 HIS A -22 -13.811 17.221 -10.016 1.00 0.00 C ATOM 98 CE1 HIS A -22 -14.746 18.709 -11.278 1.00 0.00 C ATOM 99 NE2 HIS A -22 -13.692 18.526 -10.479 1.00 0.00 N ATOM 0 H HIS A -22 -16.241 16.407 -8.347 1.00 0.00 H new ATOM 0 HA HIS A -22 -17.577 15.776 -10.894 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -15.003 14.738 -9.580 1.00 0.00 H new ATOM 0 HB3 HIS A -22 -15.380 14.689 -11.290 1.00 0.00 H new ATOM 0 HD2 HIS A -22 -13.122 16.737 -9.340 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -14.954 19.629 -11.803 1.00 0.00 H new ATOM 0 HE2 HIS A -22 -12.958 19.199 -10.257 1.00 0.00 H new ATOM 107 N HIS A -21 -17.024 13.282 -8.800 1.00 0.00 N ATOM 108 CA HIS A -21 -17.557 11.934 -8.445 1.00 0.00 C ATOM 109 C HIS A -21 -18.744 12.104 -7.497 1.00 0.00 C ATOM 110 O HIS A -21 -18.614 11.987 -6.288 1.00 0.00 O ATOM 111 CB HIS A -21 -16.404 11.199 -7.762 1.00 0.00 C ATOM 112 CG HIS A -21 -16.684 9.720 -7.765 1.00 0.00 C ATOM 113 ND1 HIS A -21 -16.846 9.001 -8.940 1.00 0.00 N ATOM 114 CD2 HIS A -21 -16.838 8.812 -6.746 1.00 0.00 C ATOM 115 CE1 HIS A -21 -17.088 7.722 -8.601 1.00 0.00 C ATOM 116 NE2 HIS A -21 -17.092 7.552 -7.277 1.00 0.00 N ATOM 0 H HIS A -21 -16.210 13.583 -8.263 1.00 0.00 H new ATOM 0 HA HIS A -21 -17.908 11.375 -9.313 1.00 0.00 H new ATOM 0 HB2 HIS A -21 -15.468 11.404 -8.282 1.00 0.00 H new ATOM 0 HB3 HIS A -21 -16.285 11.556 -6.739 1.00 0.00 H new ATOM 0 HD2 HIS A -21 -16.772 9.042 -5.693 1.00 0.00 H new ATOM 0 HE1 HIS A -21 -17.258 6.929 -9.314 1.00 0.00 H new ATOM 0 HE2 HIS A -21 -17.248 6.684 -6.765 1.00 0.00 H new ATOM 124 N HIS A -20 -19.890 12.406 -8.045 1.00 0.00 N ATOM 125 CA HIS A -20 -21.110 12.623 -7.206 1.00 0.00 C ATOM 126 C HIS A -20 -21.301 11.489 -6.189 1.00 0.00 C ATOM 127 O HIS A -20 -21.276 10.316 -6.528 1.00 0.00 O ATOM 128 CB HIS A -20 -22.308 12.678 -8.180 1.00 0.00 C ATOM 129 CG HIS A -20 -22.186 11.638 -9.270 1.00 0.00 C ATOM 130 ND1 HIS A -20 -21.803 10.333 -9.014 1.00 0.00 N ATOM 131 CD2 HIS A -20 -22.400 11.705 -10.624 1.00 0.00 C ATOM 132 CE1 HIS A -20 -21.797 9.673 -10.186 1.00 0.00 C ATOM 133 NE2 HIS A -20 -22.154 10.463 -11.200 1.00 0.00 N ATOM 0 H HIS A -20 -20.037 12.513 -9.049 1.00 0.00 H new ATOM 0 HA HIS A -20 -21.018 13.545 -6.631 1.00 0.00 H new ATOM 0 HB2 HIS A -20 -23.234 12.520 -7.628 1.00 0.00 H new ATOM 0 HB3 HIS A -20 -22.369 13.670 -8.628 1.00 0.00 H new ATOM 0 HD1 HIS A -20 -21.568 9.942 -8.102 1.00 0.00 H new ATOM 0 HD2 HIS A -20 -22.712 12.588 -11.161 1.00 0.00 H new ATOM 0 HE1 HIS A -20 -21.535 8.631 -10.293 1.00 0.00 H new ATOM 141 N HIS A -19 -21.514 11.832 -4.945 1.00 0.00 N ATOM 142 CA HIS A -19 -21.736 10.784 -3.904 1.00 0.00 C ATOM 143 C HIS A -19 -23.238 10.644 -3.637 1.00 0.00 C ATOM 144 O HIS A -19 -24.045 11.341 -4.229 1.00 0.00 O ATOM 145 CB HIS A -19 -20.982 11.263 -2.648 1.00 0.00 C ATOM 146 CG HIS A -19 -21.508 12.596 -2.169 1.00 0.00 C ATOM 147 ND1 HIS A -19 -22.585 12.706 -1.298 1.00 0.00 N ATOM 148 CD2 HIS A -19 -21.106 13.884 -2.430 1.00 0.00 C ATOM 149 CE1 HIS A -19 -22.788 14.016 -1.069 1.00 0.00 C ATOM 150 NE2 HIS A -19 -21.915 14.778 -1.735 1.00 0.00 N ATOM 0 H HIS A -19 -21.544 12.793 -4.605 1.00 0.00 H new ATOM 0 HA HIS A -19 -21.372 9.805 -4.215 1.00 0.00 H new ATOM 0 HB2 HIS A -19 -21.085 10.522 -1.855 1.00 0.00 H new ATOM 0 HB3 HIS A -19 -19.918 11.347 -2.870 1.00 0.00 H new ATOM 0 HD1 HIS A -19 -23.123 11.934 -0.904 1.00 0.00 H new ATOM 0 HD2 HIS A -19 -20.286 14.161 -3.077 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -23.563 14.405 -0.425 1.00 0.00 H new ATOM 158 N ASP A -18 -23.624 9.741 -2.773 1.00 0.00 N ATOM 159 CA ASP A -18 -25.083 9.548 -2.486 1.00 0.00 C ATOM 160 C ASP A -18 -25.418 9.876 -1.033 1.00 0.00 C ATOM 161 O ASP A -18 -26.466 10.413 -0.736 1.00 0.00 O ATOM 162 CB ASP A -18 -25.361 8.068 -2.784 1.00 0.00 C ATOM 163 CG ASP A -18 -26.647 7.626 -2.083 1.00 0.00 C ATOM 164 OD1 ASP A -18 -27.681 8.200 -2.366 1.00 0.00 O ATOM 165 OD2 ASP A -18 -26.573 6.718 -1.281 1.00 0.00 O ATOM 0 H ASP A -18 -22.996 9.128 -2.253 1.00 0.00 H new ATOM 0 HA ASP A -18 -25.697 10.213 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A -18 -25.453 7.916 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -24.524 7.457 -2.446 1.00 0.00 H new ATOM 170 N TYR A -17 -24.545 9.548 -0.134 1.00 0.00 N ATOM 171 CA TYR A -17 -24.808 9.830 1.313 1.00 0.00 C ATOM 172 C TYR A -17 -24.722 11.337 1.583 1.00 0.00 C ATOM 173 O TYR A -17 -24.476 12.121 0.684 1.00 0.00 O ATOM 174 CB TYR A -17 -23.716 9.077 2.084 1.00 0.00 C ATOM 175 CG TYR A -17 -24.296 7.808 2.661 1.00 0.00 C ATOM 176 CD1 TYR A -17 -24.794 6.817 1.808 1.00 0.00 C ATOM 177 CD2 TYR A -17 -24.340 7.625 4.049 1.00 0.00 C ATOM 178 CE1 TYR A -17 -25.335 5.644 2.340 1.00 0.00 C ATOM 179 CE2 TYR A -17 -24.884 6.451 4.582 1.00 0.00 C ATOM 180 CZ TYR A -17 -25.381 5.459 3.725 1.00 0.00 C ATOM 181 OH TYR A -17 -25.920 4.302 4.248 1.00 0.00 O ATOM 0 H TYR A -17 -23.653 9.094 -0.330 1.00 0.00 H new ATOM 0 HA TYR A -17 -25.804 9.509 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -22.884 8.841 1.421 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -23.320 9.705 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -24.760 6.959 0.738 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -23.954 8.389 4.707 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -25.718 4.879 1.681 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -24.921 6.309 5.652 1.00 0.00 H new ATOM 0 HH TYR A -17 -25.874 4.333 5.226 1.00 0.00 H new ATOM 191 N ASP A -16 -24.921 11.745 2.814 1.00 0.00 N ATOM 192 CA ASP A -16 -24.851 13.188 3.150 1.00 0.00 C ATOM 193 C ASP A -16 -23.464 13.514 3.713 1.00 0.00 C ATOM 194 O ASP A -16 -22.475 12.914 3.329 1.00 0.00 O ATOM 195 CB ASP A -16 -25.937 13.389 4.211 1.00 0.00 C ATOM 196 CG ASP A -16 -26.536 14.785 4.082 1.00 0.00 C ATOM 197 OD1 ASP A -16 -25.864 15.736 4.437 1.00 0.00 O ATOM 198 OD2 ASP A -16 -27.663 14.882 3.637 1.00 0.00 O ATOM 0 H ASP A -16 -25.130 11.130 3.600 1.00 0.00 H new ATOM 0 HA ASP A -16 -25.005 13.838 2.288 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -26.717 12.637 4.093 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -25.514 13.256 5.207 1.00 0.00 H new ATOM 203 N ILE A -15 -23.385 14.449 4.616 1.00 0.00 N ATOM 204 CA ILE A -15 -22.067 14.821 5.208 1.00 0.00 C ATOM 205 C ILE A -15 -21.653 13.818 6.295 1.00 0.00 C ATOM 206 O ILE A -15 -22.485 13.122 6.852 1.00 0.00 O ATOM 207 CB ILE A -15 -22.265 16.220 5.803 1.00 0.00 C ATOM 208 CG1 ILE A -15 -23.525 16.267 6.673 1.00 0.00 C ATOM 209 CG2 ILE A -15 -22.383 17.245 4.676 1.00 0.00 C ATOM 210 CD1 ILE A -15 -23.169 16.852 8.037 1.00 0.00 C ATOM 0 H ILE A -15 -24.181 14.977 4.973 1.00 0.00 H new ATOM 0 HA ILE A -15 -21.273 14.810 4.461 1.00 0.00 H new ATOM 0 HB ILE A -15 -21.403 16.456 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -24.292 16.874 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -23.939 15.265 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -22.524 18.239 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -21.473 17.233 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -23.237 16.996 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -24.062 16.888 8.662 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -22.416 16.226 8.516 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -22.775 17.860 7.909 1.00 0.00 H new ATOM 222 N PRO A -14 -20.371 13.773 6.553 1.00 0.00 N ATOM 223 CA PRO A -14 -19.825 12.844 7.576 1.00 0.00 C ATOM 224 C PRO A -14 -20.282 13.236 8.988 1.00 0.00 C ATOM 225 O PRO A -14 -19.717 14.120 9.610 1.00 0.00 O ATOM 226 CB PRO A -14 -18.310 12.979 7.416 1.00 0.00 C ATOM 227 CG PRO A -14 -18.103 14.322 6.796 1.00 0.00 C ATOM 228 CD PRO A -14 -19.313 14.591 5.938 1.00 0.00 C ATOM 0 HA PRO A -14 -20.169 11.819 7.442 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -17.804 12.907 8.379 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -17.908 12.187 6.784 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -17.993 15.090 7.562 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -17.192 14.336 6.197 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -19.575 15.649 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -19.139 14.305 4.901 1.00 0.00 H new ATOM 236 N THR A -13 -21.290 12.583 9.499 1.00 0.00 N ATOM 237 CA THR A -13 -21.776 12.907 10.875 1.00 0.00 C ATOM 238 C THR A -13 -20.881 12.225 11.921 1.00 0.00 C ATOM 239 O THR A -13 -19.864 11.638 11.592 1.00 0.00 O ATOM 240 CB THR A -13 -23.209 12.357 10.936 1.00 0.00 C ATOM 241 OG1 THR A -13 -23.187 10.943 10.781 1.00 0.00 O ATOM 242 CG2 THR A -13 -24.049 12.981 9.815 1.00 0.00 C ATOM 0 H THR A -13 -21.800 11.838 9.024 1.00 0.00 H new ATOM 0 HA THR A -13 -21.750 13.976 11.085 1.00 0.00 H new ATOM 0 HB THR A -13 -23.649 12.608 11.901 1.00 0.00 H new ATOM 0 HG1 THR A -13 -24.102 10.595 10.822 1.00 0.00 H new ATOM 0 HG21 THR A -13 -25.065 12.589 9.861 1.00 0.00 H new ATOM 0 HG22 THR A -13 -24.072 14.064 9.937 1.00 0.00 H new ATOM 0 HG23 THR A -13 -23.608 12.734 8.849 1.00 0.00 H new ATOM 250 N THR A -12 -21.259 12.283 13.172 1.00 0.00 N ATOM 251 CA THR A -12 -20.444 11.632 14.245 1.00 0.00 C ATOM 252 C THR A -12 -20.302 10.143 13.945 1.00 0.00 C ATOM 253 O THR A -12 -19.213 9.625 13.783 1.00 0.00 O ATOM 254 CB THR A -12 -21.239 11.830 15.549 1.00 0.00 C ATOM 255 OG1 THR A -12 -22.542 12.338 15.265 1.00 0.00 O ATOM 256 CG2 THR A -12 -20.497 12.811 16.447 1.00 0.00 C ATOM 0 H THR A -12 -22.102 12.756 13.499 1.00 0.00 H new ATOM 0 HA THR A -12 -19.443 12.058 14.314 1.00 0.00 H new ATOM 0 HB THR A -12 -21.339 10.868 16.052 1.00 0.00 H new ATOM 0 HG1 THR A -12 -23.124 11.604 14.978 1.00 0.00 H new ATOM 0 HG21 THR A -12 -21.057 12.954 17.371 1.00 0.00 H new ATOM 0 HG22 THR A -12 -19.508 12.415 16.679 1.00 0.00 H new ATOM 0 HG23 THR A -12 -20.394 13.767 15.934 1.00 0.00 H new ATOM 264 N GLU A -11 -21.407 9.457 13.865 1.00 0.00 N ATOM 265 CA GLU A -11 -21.375 7.992 13.572 1.00 0.00 C ATOM 266 C GLU A -11 -20.634 7.717 12.263 1.00 0.00 C ATOM 267 O GLU A -11 -20.106 6.639 12.051 1.00 0.00 O ATOM 268 CB GLU A -11 -22.841 7.568 13.464 1.00 0.00 C ATOM 269 CG GLU A -11 -23.559 7.847 14.792 1.00 0.00 C ATOM 270 CD GLU A -11 -24.485 9.050 14.634 1.00 0.00 C ATOM 271 OE1 GLU A -11 -23.978 10.146 14.449 1.00 0.00 O ATOM 272 OE2 GLU A -11 -25.682 8.867 14.708 1.00 0.00 O ATOM 0 H GLU A -11 -22.340 9.849 13.991 1.00 0.00 H new ATOM 0 HA GLU A -11 -20.849 7.436 14.348 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -23.328 8.112 12.655 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -22.906 6.508 13.220 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -24.133 6.972 15.097 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -22.829 8.039 15.578 1.00 0.00 H new ATOM 279 N ASN A -10 -20.570 8.692 11.401 1.00 0.00 N ATOM 280 CA ASN A -10 -19.843 8.504 10.104 1.00 0.00 C ATOM 281 C ASN A -10 -18.358 8.291 10.364 1.00 0.00 C ATOM 282 O ASN A -10 -17.654 7.730 9.557 1.00 0.00 O ATOM 283 CB ASN A -10 -20.077 9.777 9.287 1.00 0.00 C ATOM 284 CG ASN A -10 -19.996 9.443 7.795 1.00 0.00 C ATOM 285 OD1 ASN A -10 -19.009 9.735 7.146 1.00 0.00 O ATOM 286 ND2 ASN A -10 -20.997 8.839 7.216 1.00 0.00 N ATOM 0 H ASN A -10 -20.988 9.613 11.534 1.00 0.00 H new ATOM 0 HA ASN A -10 -20.205 7.628 9.565 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -21.053 10.201 9.524 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -19.332 10.530 9.544 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -20.951 8.613 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -21.826 8.593 7.757 1.00 0.00 H new ATOM 293 N LEU A -9 -17.896 8.702 11.504 1.00 0.00 N ATOM 294 CA LEU A -9 -16.465 8.488 11.859 1.00 0.00 C ATOM 295 C LEU A -9 -16.319 7.050 12.352 1.00 0.00 C ATOM 296 O LEU A -9 -15.402 6.341 11.983 1.00 0.00 O ATOM 297 CB LEU A -9 -16.158 9.488 12.974 1.00 0.00 C ATOM 298 CG LEU A -9 -15.619 10.782 12.362 1.00 0.00 C ATOM 299 CD1 LEU A -9 -16.783 11.721 12.056 1.00 0.00 C ATOM 300 CD2 LEU A -9 -14.678 11.459 13.359 1.00 0.00 C ATOM 0 H LEU A -9 -18.449 9.182 12.214 1.00 0.00 H new ATOM 0 HA LEU A -9 -15.782 8.636 11.022 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -17.059 9.694 13.551 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -15.427 9.067 13.664 1.00 0.00 H new ATOM 0 HG LEU A -9 -15.080 10.553 11.443 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -16.401 12.644 11.620 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -17.462 11.241 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -17.318 11.950 12.978 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -14.292 12.382 12.926 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -15.222 11.688 14.275 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -13.848 10.790 13.588 1.00 0.00 H new ATOM 312 N TYR A -8 -17.256 6.608 13.155 1.00 0.00 N ATOM 313 CA TYR A -8 -17.238 5.200 13.656 1.00 0.00 C ATOM 314 C TYR A -8 -17.342 4.273 12.450 1.00 0.00 C ATOM 315 O TYR A -8 -16.574 3.342 12.271 1.00 0.00 O ATOM 316 CB TYR A -8 -18.476 5.105 14.567 1.00 0.00 C ATOM 317 CG TYR A -8 -18.828 3.670 14.879 1.00 0.00 C ATOM 318 CD1 TYR A -8 -17.830 2.738 15.179 1.00 0.00 C ATOM 319 CD2 TYR A -8 -20.174 3.280 14.885 1.00 0.00 C ATOM 320 CE1 TYR A -8 -18.175 1.419 15.484 1.00 0.00 C ATOM 321 CE2 TYR A -8 -20.518 1.962 15.185 1.00 0.00 C ATOM 322 CZ TYR A -8 -19.519 1.031 15.486 1.00 0.00 C ATOM 323 OH TYR A -8 -19.867 -0.266 15.797 1.00 0.00 O ATOM 0 H TYR A -8 -18.040 7.169 13.487 1.00 0.00 H new ATOM 0 HA TYR A -8 -16.336 4.922 14.201 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -18.287 5.644 15.495 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -19.323 5.591 14.083 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -16.792 3.038 15.175 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -20.946 4.001 14.657 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -17.405 0.699 15.718 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -21.555 1.661 15.185 1.00 0.00 H new ATOM 0 HH TYR A -8 -20.841 -0.363 15.752 1.00 0.00 H new ATOM 333 N PHE A -7 -18.263 4.583 11.608 1.00 0.00 N ATOM 334 CA PHE A -7 -18.463 3.813 10.346 1.00 0.00 C ATOM 335 C PHE A -7 -17.806 4.586 9.206 1.00 0.00 C ATOM 336 O PHE A -7 -18.412 4.841 8.184 1.00 0.00 O ATOM 337 CB PHE A -7 -19.968 3.774 10.145 1.00 0.00 C ATOM 338 CG PHE A -7 -20.542 2.491 10.708 1.00 0.00 C ATOM 339 CD1 PHE A -7 -20.181 1.256 10.153 1.00 0.00 C ATOM 340 CD2 PHE A -7 -21.433 2.538 11.788 1.00 0.00 C ATOM 341 CE1 PHE A -7 -20.711 0.072 10.675 1.00 0.00 C ATOM 342 CE2 PHE A -7 -21.962 1.350 12.313 1.00 0.00 C ATOM 343 CZ PHE A -7 -21.599 0.118 11.756 1.00 0.00 C ATOM 0 H PHE A -7 -18.912 5.360 11.735 1.00 0.00 H new ATOM 0 HA PHE A -7 -18.035 2.811 10.380 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -20.429 4.632 10.634 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -20.202 3.849 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -19.493 1.219 9.321 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -21.713 3.489 12.216 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -20.435 -0.879 10.244 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -22.649 1.386 13.146 1.00 0.00 H new ATOM 0 HZ PHE A -7 -22.004 -0.798 12.161 1.00 0.00 H new ATOM 353 N GLN A -6 -16.589 4.991 9.422 1.00 0.00 N ATOM 354 CA GLN A -6 -15.821 5.809 8.422 1.00 0.00 C ATOM 355 C GLN A -6 -15.869 5.217 7.005 1.00 0.00 C ATOM 356 O GLN A -6 -14.912 4.631 6.532 1.00 0.00 O ATOM 357 CB GLN A -6 -14.381 5.820 8.949 1.00 0.00 C ATOM 358 CG GLN A -6 -13.878 7.264 9.033 1.00 0.00 C ATOM 359 CD GLN A -6 -12.779 7.378 10.097 1.00 0.00 C ATOM 360 OE1 GLN A -6 -12.638 8.412 10.724 1.00 0.00 O ATOM 361 NE2 GLN A -6 -11.984 6.369 10.325 1.00 0.00 N ATOM 0 H GLN A -6 -16.071 4.786 10.276 1.00 0.00 H new ATOM 0 HA GLN A -6 -16.250 6.807 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -14.339 5.351 9.932 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -13.737 5.237 8.290 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -13.491 7.580 8.064 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -14.704 7.931 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -12.099 5.501 9.802 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -11.248 6.448 11.026 1.00 0.00 H new ATOM 370 N GLY A -5 -16.966 5.396 6.322 1.00 0.00 N ATOM 371 CA GLY A -5 -17.077 4.880 4.930 1.00 0.00 C ATOM 372 C GLY A -5 -16.177 5.739 4.048 1.00 0.00 C ATOM 373 O GLY A -5 -15.094 5.334 3.679 1.00 0.00 O ATOM 0 H GLY A -5 -17.794 5.880 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -16.773 3.834 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -18.110 4.928 4.585 1.00 0.00 H new ATOM 377 N ALA A -4 -16.602 6.938 3.739 1.00 0.00 N ATOM 378 CA ALA A -4 -15.748 7.851 2.916 1.00 0.00 C ATOM 379 C ALA A -4 -14.737 8.549 3.836 1.00 0.00 C ATOM 380 O ALA A -4 -15.048 8.861 4.973 1.00 0.00 O ATOM 381 CB ALA A -4 -16.705 8.877 2.302 1.00 0.00 C ATOM 0 H ALA A -4 -17.503 7.325 4.020 1.00 0.00 H new ATOM 0 HA ALA A -4 -15.193 7.319 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -16.141 9.577 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -17.442 8.363 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -17.213 9.422 3.097 1.00 0.00 H new ATOM 387 N MET A -3 -13.545 8.811 3.359 1.00 0.00 N ATOM 388 CA MET A -3 -12.530 9.506 4.217 1.00 0.00 C ATOM 389 C MET A -3 -12.670 11.024 4.052 1.00 0.00 C ATOM 390 O MET A -3 -13.686 11.511 3.591 1.00 0.00 O ATOM 391 CB MET A -3 -11.157 9.025 3.718 1.00 0.00 C ATOM 392 CG MET A -3 -10.598 7.979 4.682 1.00 0.00 C ATOM 393 SD MET A -3 -9.560 6.791 3.793 1.00 0.00 S ATOM 394 CE MET A -3 -8.957 5.873 5.233 1.00 0.00 C ATOM 0 H MET A -3 -13.230 8.576 2.418 1.00 0.00 H new ATOM 0 HA MET A -3 -12.661 9.281 5.275 1.00 0.00 H new ATOM 0 HB2 MET A -3 -11.251 8.600 2.719 1.00 0.00 H new ATOM 0 HB3 MET A -3 -10.470 9.868 3.643 1.00 0.00 H new ATOM 0 HG2 MET A -3 -10.015 8.469 5.462 1.00 0.00 H new ATOM 0 HG3 MET A -3 -11.417 7.457 5.177 1.00 0.00 H new ATOM 0 HE1 MET A -3 -8.404 4.995 4.899 1.00 0.00 H new ATOM 0 HE2 MET A -3 -8.301 6.512 5.823 1.00 0.00 H new ATOM 0 HE3 MET A -3 -9.803 5.558 5.844 1.00 0.00 H new ATOM 404 N GLY A -2 -11.670 11.777 4.431 1.00 0.00 N ATOM 405 CA GLY A -2 -11.756 13.261 4.295 1.00 0.00 C ATOM 406 C GLY A -2 -11.670 13.642 2.808 1.00 0.00 C ATOM 407 O GLY A -2 -10.678 14.175 2.359 1.00 0.00 O ATOM 0 H GLY A -2 -10.798 11.428 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.692 13.623 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.948 13.736 4.851 1.00 0.00 H new ATOM 411 N SER A -1 -12.709 13.368 2.045 1.00 0.00 N ATOM 412 CA SER A -1 -12.713 13.707 0.584 1.00 0.00 C ATOM 413 C SER A -1 -11.467 13.128 -0.112 1.00 0.00 C ATOM 414 O SER A -1 -10.721 13.835 -0.766 1.00 0.00 O ATOM 415 CB SER A -1 -12.712 15.237 0.533 1.00 0.00 C ATOM 416 OG SER A -1 -13.985 15.726 0.950 1.00 0.00 O ATOM 0 H SER A -1 -13.562 12.919 2.379 1.00 0.00 H new ATOM 0 HA SER A -1 -13.574 13.286 0.066 1.00 0.00 H new ATOM 0 HB2 SER A -1 -11.929 15.633 1.179 1.00 0.00 H new ATOM 0 HB3 SER A -1 -12.493 15.578 -0.479 1.00 0.00 H new ATOM 0 HG SER A -1 -13.985 16.706 0.919 1.00 0.00 H new ATOM 422 N GLY A 1 -11.236 11.848 0.018 1.00 0.00 N ATOM 423 CA GLY A 1 -10.045 11.235 -0.638 1.00 0.00 C ATOM 424 C GLY A 1 -10.491 10.055 -1.510 1.00 0.00 C ATOM 425 O GLY A 1 -11.301 9.254 -1.087 1.00 0.00 O ATOM 0 H GLY A 1 -11.820 11.202 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.530 11.977 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.336 10.895 0.117 1.00 0.00 H new ATOM 429 N PRO A 2 -9.951 9.987 -2.704 1.00 0.00 N ATOM 430 CA PRO A 2 -10.307 8.891 -3.648 1.00 0.00 C ATOM 431 C PRO A 2 -9.676 7.544 -3.245 1.00 0.00 C ATOM 432 O PRO A 2 -10.019 6.512 -3.788 1.00 0.00 O ATOM 433 CB PRO A 2 -9.750 9.373 -4.982 1.00 0.00 C ATOM 434 CG PRO A 2 -8.647 10.318 -4.632 1.00 0.00 C ATOM 435 CD PRO A 2 -8.972 10.916 -3.287 1.00 0.00 C ATOM 0 HA PRO A 2 -11.380 8.703 -3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.379 8.539 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.520 9.869 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.691 9.796 -4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.557 11.099 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.082 10.999 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.386 11.919 -3.387 1.00 0.00 H new ATOM 443 N CYS A 3 -8.764 7.529 -2.308 1.00 0.00 N ATOM 444 CA CYS A 3 -8.149 6.226 -1.898 1.00 0.00 C ATOM 445 C CYS A 3 -9.153 5.409 -1.076 1.00 0.00 C ATOM 446 O CYS A 3 -9.252 4.213 -1.247 1.00 0.00 O ATOM 447 CB CYS A 3 -6.914 6.579 -1.061 1.00 0.00 C ATOM 448 SG CYS A 3 -5.996 5.071 -0.664 1.00 0.00 S ATOM 0 H CYS A 3 -8.420 8.351 -1.812 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.872 5.620 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.276 7.271 -1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.216 7.084 -0.144 1.00 0.00 H new ATOM 453 N ARG A 4 -9.898 6.025 -0.179 1.00 0.00 N ATOM 454 CA ARG A 4 -10.874 5.231 0.633 1.00 0.00 C ATOM 455 C ARG A 4 -11.821 4.437 -0.275 1.00 0.00 C ATOM 456 O ARG A 4 -12.039 3.261 -0.060 1.00 0.00 O ATOM 457 CB ARG A 4 -11.657 6.261 1.455 1.00 0.00 C ATOM 458 CG ARG A 4 -12.633 5.551 2.409 1.00 0.00 C ATOM 459 CD ARG A 4 -11.925 4.415 3.157 1.00 0.00 C ATOM 460 NE ARG A 4 -12.949 3.867 4.096 1.00 0.00 N ATOM 461 CZ ARG A 4 -13.438 2.671 3.898 1.00 0.00 C ATOM 462 NH1 ARG A 4 -12.756 1.623 4.275 1.00 0.00 N ATOM 463 NH2 ARG A 4 -14.600 2.534 3.323 1.00 0.00 N ATOM 0 H ARG A 4 -9.871 7.025 0.020 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.368 4.504 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.967 6.882 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.207 6.926 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.038 6.268 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.476 5.152 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.573 3.648 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.052 4.783 3.697 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.266 4.424 4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.846 1.740 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.133 0.687 4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.124 3.358 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.985 1.602 3.167 1.00 0.00 H new ATOM 477 N ARG A 5 -12.376 5.053 -1.293 1.00 0.00 N ATOM 478 CA ARG A 5 -13.293 4.291 -2.202 1.00 0.00 C ATOM 479 C ARG A 5 -12.498 3.203 -2.931 1.00 0.00 C ATOM 480 O ARG A 5 -12.975 2.097 -3.116 1.00 0.00 O ATOM 481 CB ARG A 5 -13.892 5.306 -3.187 1.00 0.00 C ATOM 482 CG ARG A 5 -12.791 6.089 -3.908 1.00 0.00 C ATOM 483 CD ARG A 5 -13.437 7.020 -4.939 1.00 0.00 C ATOM 484 NE ARG A 5 -13.009 6.495 -6.266 1.00 0.00 N ATOM 485 CZ ARG A 5 -12.733 7.328 -7.238 1.00 0.00 C ATOM 486 NH1 ARG A 5 -13.706 7.849 -7.934 1.00 0.00 N ATOM 487 NH2 ARG A 5 -11.491 7.632 -7.510 1.00 0.00 N ATOM 0 H ARG A 5 -12.237 6.035 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.092 3.796 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.511 4.786 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.543 5.997 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.209 6.667 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.101 5.403 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.523 7.016 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.109 8.050 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.931 5.489 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.673 7.607 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.499 8.499 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.734 7.220 -6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.279 8.281 -8.268 1.00 0.00 H new ATOM 501 N HIS A 6 -11.280 3.496 -3.317 1.00 0.00 N ATOM 502 CA HIS A 6 -10.441 2.464 -3.998 1.00 0.00 C ATOM 503 C HIS A 6 -10.101 1.367 -2.988 1.00 0.00 C ATOM 504 O HIS A 6 -10.209 0.188 -3.270 1.00 0.00 O ATOM 505 CB HIS A 6 -9.160 3.192 -4.437 1.00 0.00 C ATOM 506 CG HIS A 6 -9.239 3.556 -5.896 1.00 0.00 C ATOM 507 ND1 HIS A 6 -8.596 4.672 -6.416 1.00 0.00 N ATOM 508 CD2 HIS A 6 -9.872 2.961 -6.960 1.00 0.00 C ATOM 509 CE1 HIS A 6 -8.857 4.713 -7.735 1.00 0.00 C ATOM 510 NE2 HIS A 6 -9.630 3.693 -8.119 1.00 0.00 N ATOM 0 H HIS A 6 -10.832 4.404 -3.190 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.947 2.006 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.022 4.092 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.293 2.555 -4.261 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.029 5.339 -5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.467 2.062 -6.906 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.487 5.477 -8.402 1.00 0.00 H new ATOM 518 N LEU A 7 -9.710 1.757 -1.805 1.00 0.00 N ATOM 519 CA LEU A 7 -9.369 0.773 -0.753 1.00 0.00 C ATOM 520 C LEU A 7 -10.613 -0.040 -0.392 1.00 0.00 C ATOM 521 O LEU A 7 -10.575 -1.248 -0.374 1.00 0.00 O ATOM 522 CB LEU A 7 -8.891 1.637 0.423 1.00 0.00 C ATOM 523 CG LEU A 7 -9.224 0.966 1.754 1.00 0.00 C ATOM 524 CD1 LEU A 7 -8.489 -0.370 1.842 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.782 1.867 2.910 1.00 0.00 C ATOM 0 H LEU A 7 -9.613 2.733 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.610 0.052 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.815 1.797 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.364 2.618 0.376 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.299 0.799 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.724 -0.853 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.804 -1.013 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.414 -0.199 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.021 1.386 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.707 2.036 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.303 2.822 2.847 1.00 0.00 H new ATOM 537 N ASP A 8 -11.712 0.612 -0.104 1.00 0.00 N ATOM 538 CA ASP A 8 -12.953 -0.146 0.264 1.00 0.00 C ATOM 539 C ASP A 8 -13.313 -1.134 -0.845 1.00 0.00 C ATOM 540 O ASP A 8 -13.587 -2.292 -0.585 1.00 0.00 O ATOM 541 CB ASP A 8 -14.059 0.897 0.429 1.00 0.00 C ATOM 542 CG ASP A 8 -15.281 0.231 1.055 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.339 0.171 2.269 1.00 0.00 O ATOM 544 OD2 ASP A 8 -16.141 -0.206 0.314 1.00 0.00 O ATOM 0 H ASP A 8 -11.806 1.628 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.813 -0.720 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.713 1.716 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.319 1.327 -0.539 1.00 0.00 H new ATOM 549 N SER A 9 -13.295 -0.686 -2.075 1.00 0.00 N ATOM 550 CA SER A 9 -13.616 -1.596 -3.212 1.00 0.00 C ATOM 551 C SER A 9 -12.602 -2.739 -3.221 1.00 0.00 C ATOM 552 O SER A 9 -12.962 -3.903 -3.195 1.00 0.00 O ATOM 553 CB SER A 9 -13.488 -0.746 -4.483 1.00 0.00 C ATOM 554 OG SER A 9 -14.341 0.399 -4.388 1.00 0.00 O ATOM 0 H SER A 9 -13.071 0.273 -2.339 1.00 0.00 H new ATOM 0 HA SER A 9 -14.614 -2.028 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.454 -0.430 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.756 -1.339 -5.357 1.00 0.00 H new ATOM 0 HG SER A 9 -13.897 1.094 -3.859 1.00 0.00 H new ATOM 560 N VAL A 10 -11.332 -2.412 -3.227 1.00 0.00 N ATOM 561 CA VAL A 10 -10.285 -3.475 -3.208 1.00 0.00 C ATOM 562 C VAL A 10 -10.447 -4.310 -1.937 1.00 0.00 C ATOM 563 O VAL A 10 -10.387 -5.520 -1.969 1.00 0.00 O ATOM 564 CB VAL A 10 -8.947 -2.722 -3.194 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.796 -3.698 -2.951 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.736 -2.019 -4.538 1.00 0.00 C ATOM 0 H VAL A 10 -10.978 -1.455 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.351 -4.151 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.968 -1.984 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.852 -3.153 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.936 -4.194 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.778 -4.444 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.786 -1.486 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.725 -2.759 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.547 -1.311 -4.710 1.00 0.00 H new ATOM 576 N LEU A 11 -10.666 -3.665 -0.822 1.00 0.00 N ATOM 577 CA LEU A 11 -10.846 -4.407 0.458 1.00 0.00 C ATOM 578 C LEU A 11 -12.011 -5.384 0.315 1.00 0.00 C ATOM 579 O LEU A 11 -11.909 -6.541 0.671 1.00 0.00 O ATOM 580 CB LEU A 11 -11.169 -3.332 1.507 1.00 0.00 C ATOM 581 CG LEU A 11 -11.215 -3.958 2.906 1.00 0.00 C ATOM 582 CD1 LEU A 11 -9.874 -4.630 3.226 1.00 0.00 C ATOM 583 CD2 LEU A 11 -11.483 -2.868 3.943 1.00 0.00 C ATOM 0 H LEU A 11 -10.728 -2.650 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.964 -4.984 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.415 -2.545 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.127 -2.865 1.277 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.010 -4.703 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.917 -5.072 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.673 -5.410 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.077 -3.887 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.516 -3.312 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.687 -2.125 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.438 -2.388 3.728 1.00 0.00 H new ATOM 595 N GLN A 12 -13.114 -4.933 -0.212 1.00 0.00 N ATOM 596 CA GLN A 12 -14.275 -5.855 -0.383 1.00 0.00 C ATOM 597 C GLN A 12 -13.969 -6.887 -1.477 1.00 0.00 C ATOM 598 O GLN A 12 -14.245 -8.063 -1.328 1.00 0.00 O ATOM 599 CB GLN A 12 -15.447 -4.962 -0.806 1.00 0.00 C ATOM 600 CG GLN A 12 -15.913 -4.119 0.386 1.00 0.00 C ATOM 601 CD GLN A 12 -17.398 -3.781 0.224 1.00 0.00 C ATOM 602 OE1 GLN A 12 -18.189 -4.628 -0.145 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.814 -2.574 0.478 1.00 0.00 N ATOM 0 H GLN A 12 -13.264 -3.975 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.497 -6.407 0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.143 -4.312 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.270 -5.576 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.753 -4.665 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.325 -3.203 0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.153 -1.861 0.788 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.801 -2.341 0.367 1.00 0.00 H new ATOM 612 N GLN A 13 -13.416 -6.442 -2.578 1.00 0.00 N ATOM 613 CA GLN A 13 -13.107 -7.368 -3.715 1.00 0.00 C ATOM 614 C GLN A 13 -11.930 -8.308 -3.423 1.00 0.00 C ATOM 615 O GLN A 13 -11.939 -9.442 -3.859 1.00 0.00 O ATOM 616 CB GLN A 13 -12.751 -6.460 -4.893 1.00 0.00 C ATOM 617 CG GLN A 13 -13.872 -6.498 -5.928 1.00 0.00 C ATOM 618 CD GLN A 13 -13.375 -5.860 -7.222 1.00 0.00 C ATOM 619 OE1 GLN A 13 -13.158 -4.668 -7.273 1.00 0.00 O ATOM 620 NE2 GLN A 13 -13.168 -6.602 -8.272 1.00 0.00 N ATOM 0 H GLN A 13 -13.162 -5.467 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.963 -8.014 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.599 -5.438 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.814 -6.785 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.181 -7.527 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.746 -5.963 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.350 -7.605 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.824 -6.180 -9.135 1.00 0.00 H new ATOM 629 N LEU A 14 -10.902 -7.855 -2.746 1.00 0.00 N ATOM 630 CA LEU A 14 -9.719 -8.749 -2.506 1.00 0.00 C ATOM 631 C LEU A 14 -10.147 -10.102 -1.931 1.00 0.00 C ATOM 632 O LEU A 14 -9.543 -11.109 -2.228 1.00 0.00 O ATOM 633 CB LEU A 14 -8.777 -7.991 -1.556 1.00 0.00 C ATOM 634 CG LEU A 14 -9.282 -8.083 -0.121 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.742 -9.350 0.545 1.00 0.00 C ATOM 636 CD2 LEU A 14 -8.803 -6.866 0.665 1.00 0.00 C ATOM 0 H LEU A 14 -10.828 -6.917 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.209 -8.978 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.772 -8.407 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.709 -6.946 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.371 -8.115 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.108 -9.407 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.080 -10.225 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.652 -9.322 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.164 -6.931 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.713 -6.838 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.189 -5.958 0.201 1.00 0.00 H new ATOM 648 N GLN A 15 -11.176 -10.149 -1.125 1.00 0.00 N ATOM 649 CA GLN A 15 -11.618 -11.469 -0.572 1.00 0.00 C ATOM 650 C GLN A 15 -12.098 -12.379 -1.710 1.00 0.00 C ATOM 651 O GLN A 15 -11.875 -13.578 -1.703 1.00 0.00 O ATOM 652 CB GLN A 15 -12.771 -11.157 0.389 1.00 0.00 C ATOM 653 CG GLN A 15 -12.218 -10.767 1.764 1.00 0.00 C ATOM 654 CD GLN A 15 -13.191 -11.226 2.853 1.00 0.00 C ATOM 655 OE1 GLN A 15 -13.577 -12.380 2.895 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.614 -10.372 3.742 1.00 0.00 N ATOM 0 H GLN A 15 -11.725 -9.343 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.806 -11.987 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.379 -10.345 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.422 -12.026 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.241 -11.224 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.077 -9.688 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.294 -9.404 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.265 -10.672 4.468 1.00 0.00 H new ATOM 665 N THR A 16 -12.745 -11.815 -2.688 1.00 0.00 N ATOM 666 CA THR A 16 -13.237 -12.620 -3.833 1.00 0.00 C ATOM 667 C THR A 16 -12.193 -12.619 -4.963 1.00 0.00 C ATOM 668 O THR A 16 -12.134 -13.539 -5.761 1.00 0.00 O ATOM 669 CB THR A 16 -14.520 -11.901 -4.263 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.617 -12.418 -3.525 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.762 -12.104 -5.755 1.00 0.00 C ATOM 0 H THR A 16 -12.956 -10.818 -2.742 1.00 0.00 H new ATOM 0 HA THR A 16 -13.416 -13.665 -3.582 1.00 0.00 H new ATOM 0 HB THR A 16 -14.416 -10.834 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.439 -11.959 -3.796 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.676 -11.589 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.921 -11.700 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.862 -13.169 -5.966 1.00 0.00 H new ATOM 679 N GLU A 17 -11.377 -11.595 -5.042 1.00 0.00 N ATOM 680 CA GLU A 17 -10.355 -11.528 -6.134 1.00 0.00 C ATOM 681 C GLU A 17 -9.068 -12.268 -5.755 1.00 0.00 C ATOM 682 O GLU A 17 -8.032 -12.050 -6.356 1.00 0.00 O ATOM 683 CB GLU A 17 -10.065 -10.036 -6.332 1.00 0.00 C ATOM 684 CG GLU A 17 -11.325 -9.335 -6.860 1.00 0.00 C ATOM 685 CD GLU A 17 -11.530 -9.658 -8.340 1.00 0.00 C ATOM 686 OE1 GLU A 17 -10.552 -9.772 -9.059 1.00 0.00 O ATOM 687 OE2 GLU A 17 -12.670 -9.782 -8.741 1.00 0.00 O ATOM 0 H GLU A 17 -11.375 -10.804 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.726 -12.005 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.754 -9.587 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.242 -9.905 -7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.195 -9.655 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.234 -8.257 -6.725 1.00 0.00 H new ATOM 694 N VAL A 18 -9.110 -13.146 -4.788 1.00 0.00 N ATOM 695 CA VAL A 18 -7.862 -13.880 -4.419 1.00 0.00 C ATOM 696 C VAL A 18 -7.406 -14.772 -5.576 1.00 0.00 C ATOM 697 O VAL A 18 -6.261 -15.150 -5.655 1.00 0.00 O ATOM 698 CB VAL A 18 -8.197 -14.718 -3.177 1.00 0.00 C ATOM 699 CG1 VAL A 18 -7.004 -15.612 -2.815 1.00 0.00 C ATOM 700 CG2 VAL A 18 -8.493 -13.788 -1.997 1.00 0.00 C ATOM 0 H VAL A 18 -9.940 -13.385 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.044 -13.190 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.068 -15.337 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.248 -16.204 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.782 -16.278 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.134 -14.990 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.731 -14.383 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.619 -13.170 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.341 -13.148 -2.242 1.00 0.00 H new ATOM 710 N TYR A 19 -8.288 -15.105 -6.466 1.00 0.00 N ATOM 711 CA TYR A 19 -7.903 -15.976 -7.616 1.00 0.00 C ATOM 712 C TYR A 19 -6.823 -15.311 -8.462 1.00 0.00 C ATOM 713 O TYR A 19 -5.776 -15.871 -8.727 1.00 0.00 O ATOM 714 CB TYR A 19 -9.207 -16.248 -8.397 1.00 0.00 C ATOM 715 CG TYR A 19 -9.688 -15.015 -9.138 1.00 0.00 C ATOM 716 CD1 TYR A 19 -10.371 -13.998 -8.455 1.00 0.00 C ATOM 717 CD2 TYR A 19 -9.453 -14.895 -10.510 1.00 0.00 C ATOM 718 CE1 TYR A 19 -10.810 -12.866 -9.149 1.00 0.00 C ATOM 719 CE2 TYR A 19 -9.893 -13.760 -11.201 1.00 0.00 C ATOM 720 CZ TYR A 19 -10.573 -12.747 -10.520 1.00 0.00 C ATOM 721 OH TYR A 19 -11.004 -11.623 -11.200 1.00 0.00 O ATOM 0 H TYR A 19 -9.265 -14.813 -6.452 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.463 -16.919 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.043 -17.058 -9.108 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.981 -16.582 -7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.558 -14.089 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.931 -15.679 -11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.334 -12.082 -8.623 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.707 -13.667 -12.261 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.929 -10.839 -10.617 1.00 0.00 H new ATOM 731 N ARG A 20 -7.073 -14.124 -8.854 1.00 0.00 N ATOM 732 CA ARG A 20 -6.081 -13.352 -9.664 1.00 0.00 C ATOM 733 C ARG A 20 -5.114 -12.610 -8.742 1.00 0.00 C ATOM 734 O ARG A 20 -3.977 -12.347 -9.086 1.00 0.00 O ATOM 735 CB ARG A 20 -6.899 -12.374 -10.519 1.00 0.00 C ATOM 736 CG ARG A 20 -7.573 -11.323 -9.632 1.00 0.00 C ATOM 737 CD ARG A 20 -6.665 -10.097 -9.505 1.00 0.00 C ATOM 738 NE ARG A 20 -7.264 -9.068 -10.404 1.00 0.00 N ATOM 739 CZ ARG A 20 -7.662 -7.931 -9.906 1.00 0.00 C ATOM 740 NH1 ARG A 20 -8.820 -7.857 -9.306 1.00 0.00 N ATOM 741 NH2 ARG A 20 -6.906 -6.873 -10.024 1.00 0.00 N ATOM 0 H ARG A 20 -7.939 -13.624 -8.653 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.476 -14.003 -10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.249 -11.884 -11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.654 -12.920 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.533 -11.034 -10.059 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.776 -11.741 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.624 -9.743 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.643 -10.332 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.362 -9.253 -11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.408 -8.687 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.136 -6.970 -8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.008 -6.938 -10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.213 -5.981 -9.636 1.00 0.00 H new ATOM 755 N GLY A 21 -5.581 -12.256 -7.582 1.00 0.00 N ATOM 756 CA GLY A 21 -4.740 -11.507 -6.615 1.00 0.00 C ATOM 757 C GLY A 21 -3.963 -12.459 -5.699 1.00 0.00 C ATOM 758 O GLY A 21 -3.269 -12.014 -4.809 1.00 0.00 O ATOM 0 H GLY A 21 -6.527 -12.458 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.042 -10.868 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.370 -10.852 -6.013 1.00 0.00 H new ATOM 762 N ALA A 22 -4.063 -13.754 -5.894 1.00 0.00 N ATOM 763 CA ALA A 22 -3.323 -14.697 -4.996 1.00 0.00 C ATOM 764 C ALA A 22 -1.835 -14.341 -4.983 1.00 0.00 C ATOM 765 O ALA A 22 -1.188 -14.403 -3.955 1.00 0.00 O ATOM 766 CB ALA A 22 -3.512 -16.090 -5.609 1.00 0.00 C ATOM 0 H ALA A 22 -4.619 -14.194 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.690 -14.649 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.994 -16.830 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.575 -16.330 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.102 -16.102 -6.619 1.00 0.00 H new ATOM 772 N GLN A 23 -1.283 -13.964 -6.106 1.00 0.00 N ATOM 773 CA GLN A 23 0.157 -13.603 -6.124 1.00 0.00 C ATOM 774 C GLN A 23 0.380 -12.104 -6.368 1.00 0.00 C ATOM 775 O GLN A 23 1.509 -11.654 -6.404 1.00 0.00 O ATOM 776 CB GLN A 23 0.772 -14.443 -7.247 1.00 0.00 C ATOM 777 CG GLN A 23 0.124 -14.096 -8.590 1.00 0.00 C ATOM 778 CD GLN A 23 1.219 -13.817 -9.619 1.00 0.00 C ATOM 779 OE1 GLN A 23 1.859 -12.781 -9.575 1.00 0.00 O ATOM 780 NE2 GLN A 23 1.472 -14.697 -10.540 1.00 0.00 N ATOM 0 H GLN A 23 -1.765 -13.892 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 23 0.621 -13.806 -5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.846 -14.264 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.635 -15.503 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.507 -14.919 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.521 -13.224 -8.482 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.937 -15.564 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.206 -14.521 -11.226 1.00 0.00 H new ATOM 789 N THR A 24 -0.653 -11.330 -6.552 1.00 0.00 N ATOM 790 CA THR A 24 -0.429 -9.871 -6.809 1.00 0.00 C ATOM 791 C THR A 24 -1.664 -8.995 -6.572 1.00 0.00 C ATOM 792 O THR A 24 -1.899 -8.039 -7.294 1.00 0.00 O ATOM 793 CB THR A 24 0.051 -9.739 -8.250 1.00 0.00 C ATOM 794 OG1 THR A 24 0.006 -10.993 -8.933 1.00 0.00 O ATOM 795 CG2 THR A 24 1.474 -9.223 -8.192 1.00 0.00 C ATOM 0 H THR A 24 -1.627 -11.632 -6.537 1.00 0.00 H new ATOM 0 HA THR A 24 0.310 -9.507 -6.095 1.00 0.00 H new ATOM 0 HB THR A 24 -0.597 -9.058 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.909 -11.372 -8.982 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.862 -9.112 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.490 -8.256 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.095 -9.929 -7.641 1.00 0.00 H new ATOM 803 N LEU A 25 -2.436 -9.274 -5.574 1.00 0.00 N ATOM 804 CA LEU A 25 -3.630 -8.416 -5.309 1.00 0.00 C ATOM 805 C LEU A 25 -3.140 -7.159 -4.594 1.00 0.00 C ATOM 806 O LEU A 25 -2.506 -7.227 -3.566 1.00 0.00 O ATOM 807 CB LEU A 25 -4.541 -9.250 -4.399 1.00 0.00 C ATOM 808 CG LEU A 25 -6.023 -8.918 -4.647 1.00 0.00 C ATOM 809 CD1 LEU A 25 -6.289 -8.622 -6.128 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.888 -10.110 -4.231 1.00 0.00 C ATOM 0 H LEU A 25 -2.302 -10.052 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.166 -8.116 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.367 -10.311 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.292 -9.059 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.270 -8.034 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.345 -8.391 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.686 -7.770 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.025 -9.494 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.938 -9.876 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.608 -10.985 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.735 -10.319 -3.172 1.00 0.00 H new ATOM 822 N TYR A 26 -3.380 -6.020 -5.165 1.00 0.00 N ATOM 823 CA TYR A 26 -2.871 -4.750 -4.560 1.00 0.00 C ATOM 824 C TYR A 26 -3.904 -4.081 -3.644 1.00 0.00 C ATOM 825 O TYR A 26 -5.069 -3.977 -3.974 1.00 0.00 O ATOM 826 CB TYR A 26 -2.527 -3.852 -5.764 1.00 0.00 C ATOM 827 CG TYR A 26 -2.614 -2.395 -5.359 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.662 -1.845 -4.488 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.668 -1.606 -5.834 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.763 -0.503 -4.097 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.768 -0.270 -5.443 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.822 0.280 -4.577 1.00 0.00 C ATOM 833 OH TYR A 26 -2.928 1.597 -4.211 1.00 0.00 O ATOM 0 H TYR A 26 -3.909 -5.905 -6.030 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.010 -4.935 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.524 -4.080 -6.124 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.214 -4.052 -6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.851 -2.456 -4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.403 -2.030 -6.502 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.029 -0.075 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.580 0.340 -5.812 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.347 2.143 -4.781 1.00 0.00 H new ATOM 843 N VAL A 27 -3.454 -3.596 -2.513 1.00 0.00 N ATOM 844 CA VAL A 27 -4.355 -2.883 -1.561 1.00 0.00 C ATOM 845 C VAL A 27 -3.758 -1.493 -1.261 1.00 0.00 C ATOM 846 O VAL A 27 -2.607 -1.385 -0.873 1.00 0.00 O ATOM 847 CB VAL A 27 -4.401 -3.767 -0.300 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.954 -2.970 0.884 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.320 -4.968 -0.555 1.00 0.00 C ATOM 0 H VAL A 27 -2.484 -3.666 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.360 -2.726 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.390 -4.105 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.982 -3.605 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.313 -2.110 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.962 -2.627 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.354 -5.595 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.324 -4.615 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.935 -5.549 -1.393 1.00 0.00 H new ATOM 859 N PRO A 28 -4.554 -0.470 -1.474 1.00 0.00 N ATOM 860 CA PRO A 28 -4.093 0.921 -1.242 1.00 0.00 C ATOM 861 C PRO A 28 -4.208 1.315 0.244 1.00 0.00 C ATOM 862 O PRO A 28 -5.175 0.992 0.912 1.00 0.00 O ATOM 863 CB PRO A 28 -5.053 1.756 -2.089 1.00 0.00 C ATOM 864 CG PRO A 28 -6.300 0.932 -2.222 1.00 0.00 C ATOM 865 CD PRO A 28 -5.945 -0.511 -1.951 1.00 0.00 C ATOM 0 HA PRO A 28 -3.044 1.061 -1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.265 2.713 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.623 1.976 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.059 1.275 -1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.721 1.038 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.607 -0.948 -1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.037 -1.117 -2.852 1.00 0.00 H new ATOM 873 N ASN A 29 -3.240 2.038 0.754 1.00 0.00 N ATOM 874 CA ASN A 29 -3.297 2.498 2.181 1.00 0.00 C ATOM 875 C ASN A 29 -3.668 3.978 2.197 1.00 0.00 C ATOM 876 O ASN A 29 -2.966 4.794 1.639 1.00 0.00 O ATOM 877 CB ASN A 29 -1.883 2.307 2.727 1.00 0.00 C ATOM 878 CG ASN A 29 -1.919 2.090 4.247 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.096 1.378 4.777 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.831 2.673 4.985 1.00 0.00 N ATOM 0 H ASN A 29 -2.408 2.331 0.242 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.030 1.951 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.412 1.452 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.275 3.181 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.842 2.525 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.530 3.275 4.551 1.00 0.00 H new ATOM 887 N CYS A 30 -4.761 4.337 2.810 1.00 0.00 N ATOM 888 CA CYS A 30 -5.161 5.777 2.815 1.00 0.00 C ATOM 889 C CYS A 30 -5.235 6.319 4.238 1.00 0.00 C ATOM 890 O CYS A 30 -5.673 5.641 5.149 1.00 0.00 O ATOM 891 CB CYS A 30 -6.571 5.814 2.208 1.00 0.00 C ATOM 892 SG CYS A 30 -6.811 4.432 1.062 1.00 0.00 S ATOM 0 H CYS A 30 -5.391 3.705 3.304 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.440 6.380 2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.316 5.768 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.722 6.758 1.684 1.00 0.00 H new ATOM 897 N ASP A 31 -4.846 7.552 4.420 1.00 0.00 N ATOM 898 CA ASP A 31 -4.932 8.186 5.769 1.00 0.00 C ATOM 899 C ASP A 31 -6.350 8.748 5.951 1.00 0.00 C ATOM 900 O ASP A 31 -7.152 8.711 5.033 1.00 0.00 O ATOM 901 CB ASP A 31 -3.880 9.309 5.754 1.00 0.00 C ATOM 902 CG ASP A 31 -3.781 9.978 7.129 1.00 0.00 C ATOM 903 OD1 ASP A 31 -4.045 9.320 8.121 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.431 11.142 7.167 1.00 0.00 O ATOM 0 H ASP A 31 -4.469 8.153 3.687 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.744 7.493 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.909 8.901 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.144 10.052 5.001 1.00 0.00 H new ATOM 909 N HIS A 32 -6.669 9.266 7.110 1.00 0.00 N ATOM 910 CA HIS A 32 -8.041 9.836 7.344 1.00 0.00 C ATOM 911 C HIS A 32 -8.442 10.794 6.203 1.00 0.00 C ATOM 912 O HIS A 32 -9.613 11.042 5.977 1.00 0.00 O ATOM 913 CB HIS A 32 -7.934 10.611 8.662 1.00 0.00 C ATOM 914 CG HIS A 32 -8.160 9.686 9.827 1.00 0.00 C ATOM 915 ND1 HIS A 32 -9.421 9.461 10.363 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.294 8.938 10.581 1.00 0.00 C ATOM 917 CE1 HIS A 32 -9.278 8.612 11.397 1.00 0.00 C ATOM 918 NE2 HIS A 32 -8.000 8.260 11.574 1.00 0.00 N ATOM 0 H HIS A 32 -6.039 9.321 7.910 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.798 9.052 7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.951 11.074 8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.668 11.416 8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.226 8.882 10.429 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.095 8.258 12.009 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.623 7.631 12.283 1.00 0.00 H new ATOM 926 N ARG A 33 -7.480 11.318 5.478 1.00 0.00 N ATOM 927 CA ARG A 33 -7.798 12.256 4.343 1.00 0.00 C ATOM 928 C ARG A 33 -8.247 11.476 3.093 1.00 0.00 C ATOM 929 O ARG A 33 -8.422 12.045 2.037 1.00 0.00 O ATOM 930 CB ARG A 33 -6.534 13.082 4.002 1.00 0.00 C ATOM 931 CG ARG A 33 -5.373 12.834 4.976 1.00 0.00 C ATOM 932 CD ARG A 33 -5.723 13.371 6.372 1.00 0.00 C ATOM 933 NE ARG A 33 -4.732 14.453 6.625 1.00 0.00 N ATOM 934 CZ ARG A 33 -4.145 14.554 7.791 1.00 0.00 C ATOM 935 NH1 ARG A 33 -3.561 13.510 8.320 1.00 0.00 N ATOM 936 NH2 ARG A 33 -4.163 15.691 8.435 1.00 0.00 N ATOM 0 H ARG A 33 -6.486 11.138 5.621 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.611 12.914 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.210 12.839 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.787 14.142 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.159 11.767 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.470 13.321 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.743 13.754 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.653 12.587 7.126 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.509 15.119 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.563 12.619 7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.103 13.587 9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.634 16.500 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.706 15.770 9.343 1.00 0.00 H new ATOM 950 N GLY A 34 -8.458 10.190 3.201 1.00 0.00 N ATOM 951 CA GLY A 34 -8.927 9.399 2.020 1.00 0.00 C ATOM 952 C GLY A 34 -7.881 9.312 0.906 1.00 0.00 C ATOM 953 O GLY A 34 -8.158 8.762 -0.134 1.00 0.00 O ATOM 0 H GLY A 34 -8.326 9.651 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.189 8.392 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.836 9.852 1.623 1.00 0.00 H new ATOM 957 N PHE A 35 -6.705 9.839 1.091 1.00 0.00 N ATOM 958 CA PHE A 35 -5.676 9.755 0.005 1.00 0.00 C ATOM 959 C PHE A 35 -4.660 8.654 0.326 1.00 0.00 C ATOM 960 O PHE A 35 -4.473 8.304 1.479 1.00 0.00 O ATOM 961 CB PHE A 35 -4.991 11.125 -0.015 1.00 0.00 C ATOM 962 CG PHE A 35 -5.695 12.024 -1.008 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.852 12.717 -0.629 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.189 12.165 -2.306 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.504 13.548 -1.547 1.00 0.00 C ATOM 966 CE2 PHE A 35 -5.843 12.998 -3.225 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.000 13.689 -2.846 1.00 0.00 C ATOM 0 H PHE A 35 -6.407 10.322 1.939 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.120 9.512 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.017 11.572 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.941 11.015 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.241 12.610 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.296 11.633 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.396 14.081 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.454 13.107 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.503 14.330 -3.555 1.00 0.00 H new ATOM 977 N TYR A 36 -3.978 8.130 -0.668 1.00 0.00 N ATOM 978 CA TYR A 36 -2.941 7.080 -0.382 1.00 0.00 C ATOM 979 C TYR A 36 -1.816 7.813 0.329 1.00 0.00 C ATOM 980 O TYR A 36 -1.022 8.460 -0.318 1.00 0.00 O ATOM 981 CB TYR A 36 -2.408 6.531 -1.731 1.00 0.00 C ATOM 982 CG TYR A 36 -3.489 6.393 -2.780 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.270 5.238 -2.829 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.684 7.410 -3.717 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.257 5.101 -3.810 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.668 7.276 -4.699 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.455 6.121 -4.746 1.00 0.00 C ATOM 988 OH TYR A 36 -6.428 5.986 -5.710 1.00 0.00 O ATOM 0 H TYR A 36 -4.091 8.378 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.335 6.254 0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.629 7.195 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.945 5.559 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.112 4.449 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.074 8.300 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.865 4.209 -3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.821 8.064 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.436 6.783 -6.280 1.00 0.00 H new ATOM 998 N ARG A 37 -1.770 7.834 1.636 1.00 0.00 N ATOM 999 CA ARG A 37 -0.707 8.674 2.242 1.00 0.00 C ATOM 1000 C ARG A 37 0.691 8.054 2.207 1.00 0.00 C ATOM 1001 O ARG A 37 1.579 8.576 1.565 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.157 8.900 3.685 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.466 10.150 4.227 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.458 11.325 4.272 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.342 11.887 5.649 1.00 0.00 N ATOM 1006 CZ ARG A 37 -0.428 12.784 5.919 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -0.683 14.054 5.726 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.745 12.407 6.360 1.00 0.00 N ATOM 0 H ARG A 37 -2.387 7.335 2.277 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.599 9.595 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.240 9.019 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.906 8.034 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.076 9.955 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.385 10.407 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.214 12.075 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.475 10.989 4.069 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.977 11.571 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.593 14.343 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.028 14.755 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.946 11.416 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.459 13.104 6.571 1.00 0.00 H new ATOM 1022 N LYS A 38 0.901 6.975 2.894 1.00 0.00 N ATOM 1023 CA LYS A 38 2.260 6.345 2.895 1.00 0.00 C ATOM 1024 C LYS A 38 2.407 5.093 2.016 1.00 0.00 C ATOM 1025 O LYS A 38 3.465 4.840 1.472 1.00 0.00 O ATOM 1026 CB LYS A 38 2.576 6.030 4.374 1.00 0.00 C ATOM 1027 CG LYS A 38 2.616 4.518 4.655 1.00 0.00 C ATOM 1028 CD LYS A 38 1.534 4.153 5.671 1.00 0.00 C ATOM 1029 CE LYS A 38 2.185 3.795 7.012 1.00 0.00 C ATOM 1030 NZ LYS A 38 2.768 5.072 7.520 1.00 0.00 N ATOM 0 H LYS A 38 0.198 6.496 3.457 1.00 0.00 H new ATOM 0 HA LYS A 38 2.968 7.042 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.536 6.472 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.824 6.496 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.462 3.962 3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.597 4.235 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.847 4.989 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.946 3.311 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.451 3.392 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.955 3.034 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.970 4.981 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.650 5.279 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.091 5.847 7.370 1.00 0.00 H new ATOM 1044 N ARG A 39 1.428 4.214 2.041 1.00 0.00 N ATOM 1045 CA ARG A 39 1.633 2.884 1.384 1.00 0.00 C ATOM 1046 C ARG A 39 0.796 2.536 0.148 1.00 0.00 C ATOM 1047 O ARG A 39 -0.357 2.898 -0.007 1.00 0.00 O ATOM 1048 CB ARG A 39 1.290 1.892 2.498 1.00 0.00 C ATOM 1049 CG ARG A 39 2.544 1.145 2.929 1.00 0.00 C ATOM 1050 CD ARG A 39 2.146 -0.209 3.538 1.00 0.00 C ATOM 1051 NE ARG A 39 1.792 0.062 4.962 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.128 -0.838 5.643 1.00 0.00 C ATOM 1053 NH1 ARG A 39 1.758 -1.876 6.131 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -0.159 -0.693 5.833 1.00 0.00 N ATOM 0 H ARG A 39 0.517 4.357 2.478 1.00 0.00 H new ATOM 0 HA ARG A 39 2.646 2.870 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.861 2.421 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.537 1.185 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.202 0.992 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.100 1.735 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.301 -0.643 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.967 -0.923 3.470 1.00 0.00 H new ATOM 0 HE ARG A 39 2.065 0.941 5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.761 -1.981 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.246 -2.580 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.643 0.120 5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.678 -1.393 6.363 1.00 0.00 H new ATOM 1068 N GLN A 40 1.399 1.687 -0.644 1.00 0.00 N ATOM 1069 CA GLN A 40 0.766 1.061 -1.837 1.00 0.00 C ATOM 1070 C GLN A 40 1.315 -0.370 -1.813 1.00 0.00 C ATOM 1071 O GLN A 40 2.521 -0.545 -1.758 1.00 0.00 O ATOM 1072 CB GLN A 40 1.278 1.820 -3.066 1.00 0.00 C ATOM 1073 CG GLN A 40 0.726 3.249 -3.070 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.732 3.239 -3.513 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.016 3.188 -4.696 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -1.677 3.277 -2.616 1.00 0.00 N ATOM 0 H GLN A 40 2.363 1.388 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.324 1.078 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.368 1.843 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.974 1.302 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.810 3.684 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.315 3.874 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.438 3.320 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.655 3.264 -2.905 1.00 0.00 H new ATOM 1085 N CYS A 41 0.509 -1.399 -1.772 1.00 0.00 N ATOM 1086 CA CYS A 41 1.140 -2.756 -1.656 1.00 0.00 C ATOM 1087 C CYS A 41 0.523 -3.819 -2.548 1.00 0.00 C ATOM 1088 O CYS A 41 -0.681 -3.935 -2.662 1.00 0.00 O ATOM 1089 CB CYS A 41 0.927 -3.183 -0.197 1.00 0.00 C ATOM 1090 SG CYS A 41 0.900 -1.744 0.901 1.00 0.00 S ATOM 0 H CYS A 41 -0.510 -1.371 -1.811 1.00 0.00 H new ATOM 0 HA CYS A 41 2.182 -2.676 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.011 -3.731 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.723 -3.862 0.107 1.00 0.00 H new ATOM 1095 N ARG A 42 1.360 -4.660 -3.102 1.00 0.00 N ATOM 1096 CA ARG A 42 0.862 -5.807 -3.908 1.00 0.00 C ATOM 1097 C ARG A 42 0.856 -7.013 -2.971 1.00 0.00 C ATOM 1098 O ARG A 42 1.695 -7.106 -2.094 1.00 0.00 O ATOM 1099 CB ARG A 42 1.864 -5.990 -5.047 1.00 0.00 C ATOM 1100 CG ARG A 42 1.615 -4.923 -6.118 1.00 0.00 C ATOM 1101 CD ARG A 42 0.880 -5.553 -7.304 1.00 0.00 C ATOM 1102 NE ARG A 42 1.941 -5.871 -8.297 1.00 0.00 N ATOM 1103 CZ ARG A 42 1.974 -5.241 -9.439 1.00 0.00 C ATOM 1104 NH1 ARG A 42 0.969 -5.353 -10.271 1.00 0.00 N ATOM 1105 NH2 ARG A 42 2.983 -4.461 -9.725 1.00 0.00 N ATOM 0 H ARG A 42 2.375 -4.597 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.136 -5.667 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.882 -5.909 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.763 -6.986 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.025 -4.106 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.562 -4.496 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.342 -6.451 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.144 -4.866 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 42 2.642 -6.581 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.165 -5.931 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.990 -4.862 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.744 -4.345 -9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.010 -3.968 -10.618 1.00 0.00 H new ATOM 1119 N SER A 43 -0.088 -7.903 -3.094 1.00 0.00 N ATOM 1120 CA SER A 43 -0.136 -9.053 -2.138 1.00 0.00 C ATOM 1121 C SER A 43 0.085 -10.401 -2.824 1.00 0.00 C ATOM 1122 O SER A 43 -0.495 -10.697 -3.852 1.00 0.00 O ATOM 1123 CB SER A 43 -1.536 -9.009 -1.526 1.00 0.00 C ATOM 1124 OG SER A 43 -1.863 -7.668 -1.177 1.00 0.00 O ATOM 0 H SER A 43 -0.821 -7.889 -3.803 1.00 0.00 H new ATOM 0 HA SER A 43 0.659 -8.962 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.266 -9.399 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.578 -9.646 -0.642 1.00 0.00 H new ATOM 0 HG SER A 43 -2.279 -7.222 -1.944 1.00 0.00 H new ATOM 1130 N SER A 44 0.886 -11.228 -2.213 1.00 0.00 N ATOM 1131 CA SER A 44 1.146 -12.594 -2.743 1.00 0.00 C ATOM 1132 C SER A 44 1.009 -13.582 -1.577 1.00 0.00 C ATOM 1133 O SER A 44 1.546 -13.359 -0.507 1.00 0.00 O ATOM 1134 CB SER A 44 2.582 -12.567 -3.279 1.00 0.00 C ATOM 1135 OG SER A 44 2.738 -11.474 -4.182 1.00 0.00 O ATOM 0 H SER A 44 1.382 -11.009 -1.349 1.00 0.00 H new ATOM 0 HA SER A 44 0.455 -12.894 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.287 -12.472 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.809 -13.505 -3.786 1.00 0.00 H new ATOM 0 HG SER A 44 2.527 -11.769 -5.092 1.00 0.00 H new ATOM 1141 N GLN A 45 0.283 -14.650 -1.760 1.00 0.00 N ATOM 1142 CA GLN A 45 0.084 -15.628 -0.641 1.00 0.00 C ATOM 1143 C GLN A 45 1.268 -16.601 -0.496 1.00 0.00 C ATOM 1144 O GLN A 45 1.212 -17.532 0.286 1.00 0.00 O ATOM 1145 CB GLN A 45 -1.202 -16.382 -0.989 1.00 0.00 C ATOM 1146 CG GLN A 45 -2.362 -15.386 -1.133 1.00 0.00 C ATOM 1147 CD GLN A 45 -3.692 -16.135 -1.041 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -4.445 -15.940 -0.112 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -4.014 -16.985 -1.972 1.00 0.00 N ATOM 0 H GLN A 45 -0.183 -14.892 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 45 0.017 -15.113 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.070 -16.938 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.430 -17.111 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.304 -14.629 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.291 -14.865 -2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.380 -17.149 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.900 -17.487 -1.920 1.00 0.00 H new ATOM 1158 N GLY A 46 2.331 -16.414 -1.233 1.00 0.00 N ATOM 1159 CA GLY A 46 3.495 -17.344 -1.108 1.00 0.00 C ATOM 1160 C GLY A 46 4.572 -16.702 -0.237 1.00 0.00 C ATOM 1161 O GLY A 46 4.286 -15.980 0.704 1.00 0.00 O ATOM 0 H GLY A 46 2.445 -15.662 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.173 -18.288 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.899 -17.572 -2.094 1.00 0.00 H new ATOM 1165 N GLN A 47 5.815 -16.949 -0.548 1.00 0.00 N ATOM 1166 CA GLN A 47 6.927 -16.354 0.262 1.00 0.00 C ATOM 1167 C GLN A 47 7.162 -14.891 -0.118 1.00 0.00 C ATOM 1168 O GLN A 47 7.928 -14.195 0.518 1.00 0.00 O ATOM 1169 CB GLN A 47 8.173 -17.196 -0.047 1.00 0.00 C ATOM 1170 CG GLN A 47 8.344 -17.369 -1.565 1.00 0.00 C ATOM 1171 CD GLN A 47 9.798 -17.102 -1.955 1.00 0.00 C ATOM 1172 OE1 GLN A 47 10.060 -16.357 -2.885 1.00 0.00 O ATOM 1173 NE2 GLN A 47 10.759 -17.682 -1.294 1.00 0.00 N ATOM 0 H GLN A 47 6.113 -17.536 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 47 6.687 -16.366 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.057 -16.715 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.086 -18.173 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.058 -18.379 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.684 -16.683 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.540 -18.305 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.731 -17.513 -1.554 1.00 0.00 H new ATOM 1182 N ARG A 48 6.509 -14.418 -1.139 1.00 0.00 N ATOM 1183 CA ARG A 48 6.696 -12.996 -1.557 1.00 0.00 C ATOM 1184 C ARG A 48 5.830 -12.049 -0.712 1.00 0.00 C ATOM 1185 O ARG A 48 5.957 -10.850 -0.839 1.00 0.00 O ATOM 1186 CB ARG A 48 6.267 -12.946 -3.022 1.00 0.00 C ATOM 1187 CG ARG A 48 7.218 -13.801 -3.865 1.00 0.00 C ATOM 1188 CD ARG A 48 8.291 -12.907 -4.505 1.00 0.00 C ATOM 1189 NE ARG A 48 9.506 -13.073 -3.649 1.00 0.00 N ATOM 1190 CZ ARG A 48 10.668 -13.320 -4.207 1.00 0.00 C ATOM 1191 NH1 ARG A 48 11.278 -12.387 -4.887 1.00 0.00 N ATOM 1192 NH2 ARG A 48 11.210 -14.501 -4.095 1.00 0.00 N ATOM 0 H ARG A 48 5.851 -14.953 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 48 7.728 -12.674 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.245 -13.311 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.275 -11.916 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.689 -14.561 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.660 -14.326 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.491 -13.207 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.969 -11.866 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 48 9.432 -12.995 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.851 -11.466 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.181 -12.580 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.731 -15.235 -3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.113 -14.691 -4.529 1.00 0.00 H new ATOM 1206 N ARG A 49 4.954 -12.591 0.127 1.00 0.00 N ATOM 1207 CA ARG A 49 4.027 -11.763 0.994 1.00 0.00 C ATOM 1208 C ARG A 49 4.252 -10.253 0.825 1.00 0.00 C ATOM 1209 O ARG A 49 4.938 -9.608 1.601 1.00 0.00 O ATOM 1210 CB ARG A 49 4.355 -12.193 2.426 1.00 0.00 C ATOM 1211 CG ARG A 49 3.321 -13.208 2.917 1.00 0.00 C ATOM 1212 CD ARG A 49 2.091 -12.467 3.451 1.00 0.00 C ATOM 1213 NE ARG A 49 2.556 -11.790 4.700 1.00 0.00 N ATOM 1214 CZ ARG A 49 2.204 -10.556 4.954 1.00 0.00 C ATOM 1215 NH1 ARG A 49 0.936 -10.246 5.029 1.00 0.00 N ATOM 1216 NH2 ARG A 49 3.124 -9.637 5.129 1.00 0.00 N ATOM 0 H ARG A 49 4.842 -13.598 0.248 1.00 0.00 H new ATOM 0 HA ARG A 49 2.985 -11.930 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.353 -12.631 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.363 -11.323 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.033 -13.873 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.752 -13.832 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.721 -11.743 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.274 -13.158 3.658 1.00 0.00 H new ATOM 0 HE ARG A 49 3.151 -12.293 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.226 -10.965 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.657 -9.285 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.111 -9.885 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.852 -8.674 5.327 1.00 0.00 H new ATOM 1230 N GLY A 50 3.682 -9.708 -0.211 1.00 0.00 N ATOM 1231 CA GLY A 50 3.841 -8.258 -0.516 1.00 0.00 C ATOM 1232 C GLY A 50 4.210 -8.142 -1.996 1.00 0.00 C ATOM 1233 O GLY A 50 3.704 -8.892 -2.803 1.00 0.00 O ATOM 0 H GLY A 50 3.099 -10.218 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.918 -7.718 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.617 -7.817 0.109 1.00 0.00 H new ATOM 1237 N PRO A 51 5.101 -7.243 -2.320 1.00 0.00 N ATOM 1238 CA PRO A 51 5.720 -6.335 -1.339 1.00 0.00 C ATOM 1239 C PRO A 51 5.061 -4.954 -1.379 1.00 0.00 C ATOM 1240 O PRO A 51 4.611 -4.489 -2.412 1.00 0.00 O ATOM 1241 CB PRO A 51 7.144 -6.222 -1.855 1.00 0.00 C ATOM 1242 CG PRO A 51 7.064 -6.521 -3.331 1.00 0.00 C ATOM 1243 CD PRO A 51 5.668 -7.012 -3.642 1.00 0.00 C ATOM 0 HA PRO A 51 5.634 -6.693 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.547 -5.225 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.802 -6.927 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.290 -5.627 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.802 -7.275 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.096 -6.273 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.684 -7.924 -4.239 1.00 0.00 H new ATOM 1251 N CYS A 52 5.033 -4.284 -0.274 1.00 0.00 N ATOM 1252 CA CYS A 52 4.456 -2.919 -0.258 1.00 0.00 C ATOM 1253 C CYS A 52 5.572 -1.894 -0.416 1.00 0.00 C ATOM 1254 O CYS A 52 6.688 -2.115 0.022 1.00 0.00 O ATOM 1255 CB CYS A 52 3.769 -2.753 1.087 1.00 0.00 C ATOM 1256 SG CYS A 52 2.839 -1.201 1.060 1.00 0.00 S ATOM 0 H CYS A 52 5.385 -4.620 0.623 1.00 0.00 H new ATOM 0 HA CYS A 52 3.748 -2.772 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.101 -3.593 1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.505 -2.741 1.891 1.00 0.00 H new ATOM 1261 N TRP A 53 5.286 -0.771 -1.003 1.00 0.00 N ATOM 1262 CA TRP A 53 6.337 0.275 -1.151 1.00 0.00 C ATOM 1263 C TRP A 53 5.807 1.611 -0.616 1.00 0.00 C ATOM 1264 O TRP A 53 4.608 1.827 -0.533 1.00 0.00 O ATOM 1265 CB TRP A 53 6.679 0.349 -2.652 1.00 0.00 C ATOM 1266 CG TRP A 53 5.453 0.577 -3.481 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.018 1.783 -3.889 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.515 -0.399 -4.013 1.00 0.00 C ATOM 1269 NE1 TRP A 53 3.873 1.612 -4.644 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.517 0.287 -4.741 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.429 -1.797 -3.931 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.472 -0.388 -5.368 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.380 -2.482 -4.559 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.401 -1.779 -5.275 1.00 0.00 C ATOM 0 H TRP A 53 4.373 -0.529 -1.387 1.00 0.00 H new ATOM 0 HA TRP A 53 7.236 0.039 -0.581 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.392 1.155 -2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.163 -0.577 -2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.487 2.730 -3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.355 2.376 -5.077 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.176 -2.349 -3.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.724 0.160 -5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.325 -3.558 -4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.593 -2.313 -5.754 1.00 0.00 H new ATOM 1285 N CYS A 54 6.690 2.501 -0.243 1.00 0.00 N ATOM 1286 CA CYS A 54 6.242 3.823 0.300 1.00 0.00 C ATOM 1287 C CYS A 54 5.826 4.732 -0.853 1.00 0.00 C ATOM 1288 O CYS A 54 6.463 4.764 -1.894 1.00 0.00 O ATOM 1289 CB CYS A 54 7.459 4.397 1.024 1.00 0.00 C ATOM 1290 SG CYS A 54 6.936 5.282 2.524 1.00 0.00 S ATOM 0 H CYS A 54 7.701 2.372 -0.290 1.00 0.00 H new ATOM 0 HA CYS A 54 5.387 3.731 0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.147 3.594 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.999 5.075 0.363 1.00 0.00 H new ATOM 1295 N VAL A 55 4.759 5.462 -0.682 1.00 0.00 N ATOM 1296 CA VAL A 55 4.274 6.368 -1.770 1.00 0.00 C ATOM 1297 C VAL A 55 3.888 7.726 -1.184 1.00 0.00 C ATOM 1298 O VAL A 55 3.782 7.877 0.020 1.00 0.00 O ATOM 1299 CB VAL A 55 3.046 5.666 -2.366 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.420 4.228 -2.739 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.904 5.653 -1.342 1.00 0.00 C ATOM 0 H VAL A 55 4.196 5.472 0.169 1.00 0.00 H new ATOM 0 HA VAL A 55 5.037 6.551 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 55 2.718 6.203 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.551 3.724 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.226 4.240 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.749 3.695 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.036 5.153 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.224 5.119 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.640 6.677 -1.079 1.00 0.00 H new ATOM 1311 N ASP A 56 3.666 8.713 -2.013 1.00 0.00 N ATOM 1312 CA ASP A 56 3.266 10.036 -1.481 1.00 0.00 C ATOM 1313 C ASP A 56 1.742 10.090 -1.379 1.00 0.00 C ATOM 1314 O ASP A 56 1.051 9.161 -1.747 1.00 0.00 O ATOM 1315 CB ASP A 56 3.807 11.085 -2.468 1.00 0.00 C ATOM 1316 CG ASP A 56 2.770 11.411 -3.542 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.457 10.546 -4.335 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.305 12.538 -3.557 1.00 0.00 O ATOM 0 H ASP A 56 3.745 8.655 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 56 3.666 10.224 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.075 11.993 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.718 10.713 -2.937 1.00 0.00 H new ATOM 1323 N ARG A 57 1.236 11.178 -0.883 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.253 11.349 -0.714 1.00 0.00 C ATOM 1325 C ARG A 57 -1.028 11.010 -2.002 1.00 0.00 C ATOM 1326 O ARG A 57 -2.171 10.585 -1.949 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.471 12.827 -0.336 1.00 0.00 C ATOM 1328 CG ARG A 57 0.556 13.715 -1.044 1.00 0.00 C ATOM 1329 CD ARG A 57 -0.011 15.123 -1.221 1.00 0.00 C ATOM 1330 NE ARG A 57 0.372 15.513 -2.604 1.00 0.00 N ATOM 1331 CZ ARG A 57 1.558 16.000 -2.841 1.00 0.00 C ATOM 1332 NH1 ARG A 57 1.787 17.267 -2.626 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.514 15.214 -3.265 1.00 0.00 N ATOM 0 H ARG A 57 1.791 11.978 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.626 10.668 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.479 13.135 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.385 12.950 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.478 13.755 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.809 13.290 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.093 15.133 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.404 15.812 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.294 15.399 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.041 17.868 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.712 17.656 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.331 14.221 -3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.442 15.594 -3.451 1.00 0.00 H new ATOM 1347 N MET A 58 -0.432 11.200 -3.145 1.00 0.00 N ATOM 1348 CA MET A 58 -1.149 10.888 -4.421 1.00 0.00 C ATOM 1349 C MET A 58 -1.042 9.398 -4.741 1.00 0.00 C ATOM 1350 O MET A 58 -1.792 8.878 -5.550 1.00 0.00 O ATOM 1351 CB MET A 58 -0.453 11.717 -5.498 1.00 0.00 C ATOM 1352 CG MET A 58 -0.446 13.190 -5.088 1.00 0.00 C ATOM 1353 SD MET A 58 -1.726 14.079 -6.015 1.00 0.00 S ATOM 1354 CE MET A 58 -3.151 13.545 -5.026 1.00 0.00 C ATOM 0 H MET A 58 0.517 11.556 -3.255 1.00 0.00 H new ATOM 0 HA MET A 58 -2.211 11.125 -4.355 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.568 11.364 -5.639 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.967 11.597 -6.452 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.627 13.282 -4.017 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.532 13.629 -5.285 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.902 14.335 -5.015 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.579 12.643 -5.463 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.828 13.336 -4.006 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.126 8.707 -4.122 1.00 0.00 N ATOM 1365 CA GLY A 59 0.015 7.249 -4.393 1.00 0.00 C ATOM 1366 C GLY A 59 1.253 6.981 -5.250 1.00 0.00 C ATOM 1367 O GLY A 59 1.490 5.856 -5.653 1.00 0.00 O ATOM 0 H GLY A 59 0.531 9.088 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.092 6.704 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.875 6.880 -4.903 1.00 0.00 H new ATOM 1371 N LYS A 60 2.055 7.977 -5.534 1.00 0.00 N ATOM 1372 CA LYS A 60 3.256 7.737 -6.346 1.00 0.00 C ATOM 1373 C LYS A 60 4.234 6.885 -5.549 1.00 0.00 C ATOM 1374 O LYS A 60 4.495 7.147 -4.393 1.00 0.00 O ATOM 1375 CB LYS A 60 3.839 9.116 -6.599 1.00 0.00 C ATOM 1376 CG LYS A 60 5.132 8.948 -7.369 1.00 0.00 C ATOM 1377 CD LYS A 60 6.310 9.457 -6.526 1.00 0.00 C ATOM 1378 CE LYS A 60 7.589 9.498 -7.378 1.00 0.00 C ATOM 1379 NZ LYS A 60 7.767 8.116 -7.921 1.00 0.00 N ATOM 0 H LYS A 60 1.918 8.942 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 60 3.042 7.213 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.136 9.728 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.022 9.630 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.281 7.898 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.081 9.499 -8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.088 10.452 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.458 8.807 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.497 10.225 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.449 9.795 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.772 7.953 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.446 7.422 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.207 8.010 -8.791 1.00 0.00 H new ATOM 1393 N SER A 61 4.772 5.876 -6.157 1.00 0.00 N ATOM 1394 CA SER A 61 5.730 4.995 -5.447 1.00 0.00 C ATOM 1395 C SER A 61 7.078 5.689 -5.302 1.00 0.00 C ATOM 1396 O SER A 61 7.635 6.196 -6.262 1.00 0.00 O ATOM 1397 CB SER A 61 5.871 3.755 -6.332 1.00 0.00 C ATOM 1398 OG SER A 61 4.583 3.271 -6.699 1.00 0.00 O ATOM 0 H SER A 61 4.588 5.619 -7.127 1.00 0.00 H new ATOM 0 HA SER A 61 5.385 4.745 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.445 3.999 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.422 2.979 -5.801 1.00 0.00 H new ATOM 0 HG SER A 61 4.416 2.415 -6.253 1.00 0.00 H new ATOM 1404 N LEU A 62 7.608 5.699 -4.119 1.00 0.00 N ATOM 1405 CA LEU A 62 8.940 6.328 -3.899 1.00 0.00 C ATOM 1406 C LEU A 62 10.011 5.276 -4.211 1.00 0.00 C ATOM 1407 O LEU A 62 9.741 4.091 -4.136 1.00 0.00 O ATOM 1408 CB LEU A 62 8.966 6.729 -2.417 1.00 0.00 C ATOM 1409 CG LEU A 62 7.827 7.719 -2.127 1.00 0.00 C ATOM 1410 CD1 LEU A 62 7.636 7.859 -0.616 1.00 0.00 C ATOM 1411 CD2 LEU A 62 8.168 9.093 -2.712 1.00 0.00 C ATOM 0 H LEU A 62 7.177 5.297 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 62 9.124 7.198 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.860 5.844 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.926 7.182 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 62 6.911 7.343 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.827 8.562 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.387 6.887 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.558 8.228 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.356 9.789 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.089 9.463 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.302 9.006 -3.790 1.00 0.00 H new ATOM 1423 N PRO A 63 11.185 5.727 -4.568 1.00 0.00 N ATOM 1424 CA PRO A 63 12.289 4.788 -4.918 1.00 0.00 C ATOM 1425 C PRO A 63 12.705 3.954 -3.705 1.00 0.00 C ATOM 1426 O PRO A 63 12.884 2.756 -3.802 1.00 0.00 O ATOM 1427 CB PRO A 63 13.413 5.709 -5.385 1.00 0.00 C ATOM 1428 CG PRO A 63 13.113 7.030 -4.751 1.00 0.00 C ATOM 1429 CD PRO A 63 11.612 7.128 -4.659 1.00 0.00 C ATOM 0 HA PRO A 63 12.006 4.062 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.388 5.333 -5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.434 5.788 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.568 7.098 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.520 7.848 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.299 7.701 -3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.187 7.622 -5.533 1.00 0.00 H new ATOM 1437 N GLY A 64 12.850 4.570 -2.568 1.00 0.00 N ATOM 1438 CA GLY A 64 13.243 3.806 -1.353 1.00 0.00 C ATOM 1439 C GLY A 64 14.756 3.857 -1.178 1.00 0.00 C ATOM 1440 O GLY A 64 15.508 3.708 -2.126 1.00 0.00 O ATOM 0 H GLY A 64 12.713 5.571 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.752 4.224 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.913 2.771 -1.440 1.00 0.00 H new ATOM 1444 N SER A 65 15.208 4.063 0.027 1.00 0.00 N ATOM 1445 CA SER A 65 16.677 4.121 0.279 1.00 0.00 C ATOM 1446 C SER A 65 17.106 2.927 1.142 1.00 0.00 C ATOM 1447 O SER A 65 16.283 2.322 1.805 1.00 0.00 O ATOM 1448 CB SER A 65 16.892 5.427 1.044 1.00 0.00 C ATOM 1449 OG SER A 65 16.174 6.484 0.413 1.00 0.00 O ATOM 0 H SER A 65 14.622 4.194 0.852 1.00 0.00 H new ATOM 0 HA SER A 65 17.259 4.083 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.557 5.314 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.955 5.668 1.078 1.00 0.00 H new ATOM 0 HG SER A 65 16.315 7.317 0.909 1.00 0.00 H new ATOM 1455 N PRO A 66 18.386 2.629 1.125 1.00 0.00 N ATOM 1456 CA PRO A 66 18.908 1.500 1.943 1.00 0.00 C ATOM 1457 C PRO A 66 18.751 1.808 3.431 1.00 0.00 C ATOM 1458 O PRO A 66 18.641 0.918 4.251 1.00 0.00 O ATOM 1459 CB PRO A 66 20.376 1.400 1.528 1.00 0.00 C ATOM 1460 CG PRO A 66 20.717 2.759 1.004 1.00 0.00 C ATOM 1461 CD PRO A 66 19.459 3.301 0.376 1.00 0.00 C ATOM 0 HA PRO A 66 18.377 0.562 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 66 21.009 1.132 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 66 20.521 0.634 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 66 21.061 3.410 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 66 21.523 2.702 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 66 19.397 4.385 0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 66 19.410 3.071 -0.688 1.00 0.00 H new ATOM 1469 N ASP A 67 18.707 3.062 3.779 1.00 0.00 N ATOM 1470 CA ASP A 67 18.517 3.440 5.209 1.00 0.00 C ATOM 1471 C ASP A 67 17.017 3.510 5.537 1.00 0.00 C ATOM 1472 O ASP A 67 16.627 3.961 6.600 1.00 0.00 O ATOM 1473 CB ASP A 67 19.168 4.820 5.362 1.00 0.00 C ATOM 1474 CG ASP A 67 18.516 5.830 4.413 1.00 0.00 C ATOM 1475 OD1 ASP A 67 18.911 5.876 3.258 1.00 0.00 O ATOM 1476 OD2 ASP A 67 17.647 6.553 4.858 1.00 0.00 O ATOM 0 H ASP A 67 18.795 3.846 3.133 1.00 0.00 H new ATOM 0 HA ASP A 67 18.963 2.713 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.068 5.163 6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.235 4.750 5.151 1.00 0.00 H new ATOM 1481 N GLY A 68 16.171 3.066 4.636 1.00 0.00 N ATOM 1482 CA GLY A 68 14.704 3.105 4.896 1.00 0.00 C ATOM 1483 C GLY A 68 14.300 1.867 5.690 1.00 0.00 C ATOM 1484 O GLY A 68 13.695 0.950 5.161 1.00 0.00 O ATOM 0 H GLY A 68 16.439 2.678 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.445 4.007 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.157 3.142 3.954 1.00 0.00 H new ATOM 1488 N ASN A 69 14.641 1.827 6.946 1.00 0.00 N ATOM 1489 CA ASN A 69 14.286 0.643 7.787 1.00 0.00 C ATOM 1490 C ASN A 69 12.798 0.696 8.161 1.00 0.00 C ATOM 1491 O ASN A 69 12.201 1.755 8.192 1.00 0.00 O ATOM 1492 CB ASN A 69 15.157 0.757 9.045 1.00 0.00 C ATOM 1493 CG ASN A 69 15.130 -0.568 9.805 1.00 0.00 C ATOM 1494 OD1 ASN A 69 14.465 -0.687 10.816 1.00 0.00 O ATOM 1495 ND2 ASN A 69 15.819 -1.579 9.356 1.00 0.00 N ATOM 0 H ASN A 69 15.152 2.564 7.432 1.00 0.00 H new ATOM 0 HA ASN A 69 14.457 -0.298 7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.181 1.010 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.790 1.562 9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.800 -2.470 9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.377 -1.480 8.508 1.00 0.00 H new ATOM 1502 N GLY A 70 12.201 -0.432 8.450 1.00 0.00 N ATOM 1503 CA GLY A 70 10.753 -0.445 8.825 1.00 0.00 C ATOM 1504 C GLY A 70 9.907 -0.655 7.570 1.00 0.00 C ATOM 1505 O GLY A 70 9.045 0.140 7.253 1.00 0.00 O ATOM 0 H GLY A 70 12.654 -1.346 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.559 -1.240 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.482 0.494 9.307 1.00 0.00 H new ATOM 1509 N SER A 71 10.150 -1.721 6.859 1.00 0.00 N ATOM 1510 CA SER A 71 9.369 -2.001 5.613 1.00 0.00 C ATOM 1511 C SER A 71 7.896 -2.293 5.939 1.00 0.00 C ATOM 1512 O SER A 71 7.022 -2.067 5.121 1.00 0.00 O ATOM 1513 CB SER A 71 10.036 -3.234 4.991 1.00 0.00 C ATOM 1514 OG SER A 71 11.423 -3.250 5.331 1.00 0.00 O ATOM 0 H SER A 71 10.860 -2.417 7.086 1.00 0.00 H new ATOM 0 HA SER A 71 9.371 -1.146 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.552 -4.142 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.917 -3.217 3.908 1.00 0.00 H new ATOM 0 HG SER A 71 11.848 -4.039 4.935 1.00 0.00 H new ATOM 1520 N SER A 72 7.607 -2.800 7.120 1.00 0.00 N ATOM 1521 CA SER A 72 6.185 -3.107 7.478 1.00 0.00 C ATOM 1522 C SER A 72 5.321 -1.851 7.315 1.00 0.00 C ATOM 1523 O SER A 72 4.318 -1.868 6.623 1.00 0.00 O ATOM 1524 CB SER A 72 6.223 -3.564 8.937 1.00 0.00 C ATOM 1525 OG SER A 72 7.276 -4.514 9.102 1.00 0.00 O ATOM 0 H SER A 72 8.292 -3.012 7.845 1.00 0.00 H new ATOM 0 HA SER A 72 5.751 -3.873 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.381 -2.709 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.268 -4.009 9.217 1.00 0.00 H new ATOM 0 HG SER A 72 7.307 -4.810 10.036 1.00 0.00 H new ATOM 1531 N SER A 73 5.714 -0.759 7.912 1.00 0.00 N ATOM 1532 CA SER A 73 4.926 0.498 7.751 1.00 0.00 C ATOM 1533 C SER A 73 5.395 1.186 6.465 1.00 0.00 C ATOM 1534 O SER A 73 4.762 1.085 5.434 1.00 0.00 O ATOM 1535 CB SER A 73 5.229 1.338 9.000 1.00 0.00 C ATOM 1536 OG SER A 73 5.113 0.517 10.159 1.00 0.00 O ATOM 0 H SER A 73 6.543 -0.682 8.502 1.00 0.00 H new ATOM 0 HA SER A 73 3.851 0.338 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.233 1.757 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.537 2.178 9.064 1.00 0.00 H new ATOM 0 HG SER A 73 5.308 1.050 10.958 1.00 0.00 H new ATOM 1542 N CYS A 74 6.522 1.837 6.508 1.00 0.00 N ATOM 1543 CA CYS A 74 7.082 2.475 5.285 1.00 0.00 C ATOM 1544 C CYS A 74 8.594 2.606 5.465 1.00 0.00 C ATOM 1545 O CYS A 74 9.046 3.027 6.512 1.00 0.00 O ATOM 1546 CB CYS A 74 6.419 3.843 5.161 1.00 0.00 C ATOM 1547 SG CYS A 74 5.709 4.003 3.497 1.00 0.00 S ATOM 0 H CYS A 74 7.086 1.956 7.349 1.00 0.00 H new ATOM 0 HA CYS A 74 6.894 1.893 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.640 3.954 5.916 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.149 4.633 5.337 1.00 0.00 H new ATOM 1552 N PRO A 75 9.327 2.237 4.451 1.00 0.00 N ATOM 1553 CA PRO A 75 10.806 2.305 4.518 1.00 0.00 C ATOM 1554 C PRO A 75 11.304 3.724 4.220 1.00 0.00 C ATOM 1555 O PRO A 75 12.003 4.323 5.014 1.00 0.00 O ATOM 1556 CB PRO A 75 11.248 1.311 3.448 1.00 0.00 C ATOM 1557 CG PRO A 75 10.106 1.212 2.475 1.00 0.00 C ATOM 1558 CD PRO A 75 8.857 1.713 3.164 1.00 0.00 C ATOM 0 HA PRO A 75 11.207 2.066 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.156 1.652 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.471 0.339 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.313 1.805 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.973 0.181 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.365 2.488 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.133 0.910 3.304 1.00 0.00 H new ATOM 1566 N THR A 76 10.952 4.266 3.086 1.00 0.00 N ATOM 1567 CA THR A 76 11.402 5.641 2.741 1.00 0.00 C ATOM 1568 C THR A 76 10.190 6.507 2.376 1.00 0.00 C ATOM 1569 O THR A 76 9.644 6.403 1.295 1.00 0.00 O ATOM 1570 CB THR A 76 12.331 5.457 1.536 1.00 0.00 C ATOM 1571 OG1 THR A 76 13.232 4.373 1.776 1.00 0.00 O ATOM 1572 CG2 THR A 76 13.134 6.736 1.314 1.00 0.00 C ATOM 0 H THR A 76 10.370 3.812 2.382 1.00 0.00 H new ATOM 0 HA THR A 76 11.909 6.141 3.566 1.00 0.00 H new ATOM 0 HB THR A 76 11.730 5.239 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.915 4.652 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.795 6.606 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.452 7.565 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.729 6.951 2.202 1.00 0.00 H new ATOM 1580 N GLY A 77 9.762 7.349 3.275 1.00 0.00 N ATOM 1581 CA GLY A 77 8.583 8.215 2.993 1.00 0.00 C ATOM 1582 C GLY A 77 8.112 8.854 4.298 1.00 0.00 C ATOM 1583 O GLY A 77 6.987 8.663 4.718 1.00 0.00 O ATOM 0 H GLY A 77 10.180 7.475 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.847 8.987 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.780 7.625 2.551 1.00 0.00 H new ATOM 1587 N SER A 78 8.965 9.601 4.945 1.00 0.00 N ATOM 1588 CA SER A 78 8.575 10.247 6.232 1.00 0.00 C ATOM 1589 C SER A 78 9.061 11.699 6.255 1.00 0.00 C ATOM 1590 O SER A 78 10.121 12.015 5.744 1.00 0.00 O ATOM 1591 CB SER A 78 9.276 9.429 7.325 1.00 0.00 C ATOM 1592 OG SER A 78 9.457 8.082 6.886 1.00 0.00 O ATOM 0 H SER A 78 9.918 9.793 4.637 1.00 0.00 H new ATOM 0 HA SER A 78 7.494 10.266 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.241 9.876 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.684 9.446 8.240 1.00 0.00 H new ATOM 0 HG SER A 78 9.906 7.567 7.588 1.00 0.00 H new ATOM 1598 N SER A 79 8.300 12.582 6.843 1.00 0.00 N ATOM 1599 CA SER A 79 8.720 14.010 6.908 1.00 0.00 C ATOM 1600 C SER A 79 9.470 14.247 8.224 1.00 0.00 C ATOM 1601 O SER A 79 8.982 14.908 9.125 1.00 0.00 O ATOM 1602 CB SER A 79 7.420 14.830 6.844 1.00 0.00 C ATOM 1603 OG SER A 79 6.313 14.023 7.250 1.00 0.00 O ATOM 0 H SER A 79 7.403 12.375 7.282 1.00 0.00 H new ATOM 0 HA SER A 79 9.390 14.294 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.500 15.704 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.261 15.196 5.830 1.00 0.00 H new ATOM 0 HG SER A 79 5.489 14.553 7.208 1.00 0.00 H new ATOM 1609 N GLY A 80 10.648 13.692 8.350 1.00 0.00 N ATOM 1610 CA GLY A 80 11.429 13.861 9.608 1.00 0.00 C ATOM 1611 C GLY A 80 11.481 12.528 10.362 1.00 0.00 C ATOM 1612 O GLY A 80 10.511 11.796 10.309 1.00 0.00 O ATOM 1613 OXT GLY A 80 12.487 12.263 10.986 1.00 0.00 O ATOM 0 H GLY A 80 11.103 13.127 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.439 14.200 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.970 14.627 10.233 1.00 0.00 H new TER 1617 GLY A 80