USER MOD reduce.3.24.130724 H: found=0, std=0, add=1124, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1124 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 124 ASN : amide:sc= -0.147 X(o=-0.3,f=0) USER MOD Set 1.2: A 133 THR OG1 : rot 180:sc= -0.156 USER MOD Set 2.1: A 53 TYR OH : rot 171:sc= -0.26 USER MOD Set 2.2: A 83 TYR OH : rot 43:sc= 1.38 USER MOD Set 2.3: A 117 ASN : amide:sc= 0.0287 X(o=1.1,f=1.1) USER MOD Set 3.1: A 76 ASN : amide:sc= -1.27 K(o=-1.1,f=-3.3!) USER MOD Set 3.2: A 77 ASN : amide:sc= 0.189 K(o=-1.1,f=-1.6) USER MOD Set 4.1: A 52 ASN : amide:sc= -1.23 K(o=0.043,f=-1.6!) USER MOD Set 4.2: A 70 ASN : amide:sc= -0.0451 X(o=0.043,f=-0.011) USER MOD Set 4.3: A 85 THR OG1 : rot -89:sc= 1.32 USER MOD Set 5.1: A 63 ASN :FLIP amide:sc= -1.44 F(o=-4.4!,f=-1.4) USER MOD Set 5.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 155 TYR OH : rot 180:sc= 0 USER MOD Set 5.4: A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 60 LYS NZ :NH3+ 142:sc= 0.536 (180deg=-0.706!) USER MOD Set 6.2: A 62 THR OG1 : rot -8:sc= 0.061 USER MOD Set 7.1: A 26 ASN : amide:sc= 0.846 K(o=1.9,f=-2.7!) USER MOD Set 7.2: A 35 TYR OH : rot -122:sc= 1.08 USER MOD Set 8.1: A 11 SER OG : rot 113:sc= 0.0063 USER MOD Set 8.2: A 104 THR OG1 : rot -85:sc= 0.971 USER MOD Set 9.1: A 1 MET N :NH3+ 166:sc= 0.975 (180deg=0) USER MOD Set 9.2: A 3 GLN : amide:sc= 0.203 K(o=1.2,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 130:sc= 0.0173 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -0.066 (180deg=-0.373) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 13 ASN : amide:sc= 1.11 K(o=1.1,f=-0.055) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 92:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot -168:sc= 1.11 USER MOD Single : A 23 SER OG : rot -98:sc= 1.29 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.396 K(o=-0.4,f=-3!) USER MOD Single : A 33 THR OG1 : rot 2:sc= 0.208 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -110:sc= 1.3 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.112 (180deg=-0.268) USER MOD Single : A 56 THR OG1 : rot -40:sc= 0.615 USER MOD Single : A 57 THR OG1 : rot 84:sc= 0.579 USER MOD Single : A 58 ASN : amide:sc= -1.95! C(o=-2!,f=-5!) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= -0.312 (180deg=-0.375) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 32:sc= 0.301 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -1.63! USER MOD Single : A 99 THR OG1 : rot 11:sc= 0.4 USER MOD Single : A 101 ASN : amide:sc= -0.383! X(o=-0.38!,f=-0.51) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -157:sc= 1.38 (180deg=0.691!) USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 112 ASN : amide:sc= -4.1! C(o=-4.1!,f=-6!) USER MOD Single : A 114 SER OG : rot -160:sc= -0.0894 USER MOD Single : A 118 ASN : amide:sc= -0.337 K(o=-0.34,f=-4.5!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -174:sc= -0.238 (180deg=-0.799) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -11:sc= -5.08! USER MOD Single : A 142 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 145 LYS NZ :NH3+ 170:sc=-0.00506 (180deg=-0.138) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 147 THR OG1 : rot 21:sc= 0.558 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 151 ASN : amide:sc= 0.188 K(o=0.19,f=-1.3) USER MOD Single : A 152 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.718) USER MOD Single : A 154 THR OG1 : rot -140:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ -172:sc=-0.00809 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.567 -0.210 2.411 1.00 7.47 N ATOM 2 CA MET A 1 -24.092 0.933 1.596 1.00 7.05 C ATOM 3 C MET A 1 -23.576 0.408 0.260 1.00 6.18 C ATOM 4 O MET A 1 -24.322 0.311 -0.716 1.00 6.26 O ATOM 5 CB MET A 1 -22.984 1.683 2.345 1.00 7.58 C ATOM 6 CG MET A 1 -22.659 3.052 1.769 1.00 8.43 C ATOM 7 SD MET A 1 -24.008 4.227 1.984 1.00 9.37 S ATOM 8 CE MET A 1 -23.265 5.717 1.328 1.00 9.99 C ATOM 0 H1 MET A 1 -24.697 0.096 3.396 1.00 7.47 H new ATOM 0 H2 MET A 1 -25.473 -0.553 2.033 1.00 7.47 H new ATOM 0 H3 MET A 1 -23.865 -0.976 2.377 1.00 7.47 H new ATOM 0 HA MET A 1 -24.913 1.627 1.416 1.00 7.05 H new ATOM 0 HB2 MET A 1 -23.281 1.801 3.387 1.00 7.58 H new ATOM 0 HB3 MET A 1 -22.080 1.074 2.338 1.00 7.58 H new ATOM 0 HG2 MET A 1 -21.762 3.442 2.250 1.00 8.43 H new ATOM 0 HG3 MET A 1 -22.434 2.952 0.707 1.00 8.43 H new ATOM 0 HE1 MET A 1 -23.979 6.538 1.392 1.00 9.99 H new ATOM 0 HE2 MET A 1 -22.375 5.965 1.906 1.00 9.99 H new ATOM 0 HE3 MET A 1 -22.988 5.557 0.286 1.00 9.99 H new ATOM 20 N GLU A 2 -22.300 0.056 0.236 1.00 5.66 N ATOM 21 CA GLU A 2 -21.716 -0.695 -0.861 1.00 5.12 C ATOM 22 C GLU A 2 -20.912 -1.835 -0.267 1.00 4.18 C ATOM 23 O GLU A 2 -19.847 -1.622 0.314 1.00 4.52 O ATOM 24 CB GLU A 2 -20.831 0.188 -1.748 1.00 5.99 C ATOM 25 CG GLU A 2 -21.618 1.182 -2.588 1.00 6.56 C ATOM 26 CD GLU A 2 -20.738 1.983 -3.524 1.00 7.11 C ATOM 27 OE1 GLU A 2 -20.515 1.532 -4.667 1.00 7.34 O ATOM 28 OE2 GLU A 2 -20.250 3.059 -3.119 1.00 7.54 O ATOM 0 H GLU A 2 -21.640 0.284 0.979 1.00 5.66 H new ATOM 0 HA GLU A 2 -22.510 -1.079 -1.501 1.00 5.12 H new ATOM 0 HB2 GLU A 2 -20.127 0.733 -1.119 1.00 5.99 H new ATOM 0 HB3 GLU A 2 -20.242 -0.448 -2.408 1.00 5.99 H new ATOM 0 HG2 GLU A 2 -22.367 0.646 -3.170 1.00 6.56 H new ATOM 0 HG3 GLU A 2 -22.155 1.864 -1.928 1.00 6.56 H new ATOM 35 N GLN A 3 -21.449 -3.035 -0.369 1.00 3.35 N ATOM 36 CA GLN A 3 -20.877 -4.174 0.321 1.00 2.68 C ATOM 37 C GLN A 3 -19.811 -4.843 -0.539 1.00 1.97 C ATOM 38 O GLN A 3 -19.684 -4.552 -1.729 1.00 2.24 O ATOM 39 CB GLN A 3 -21.969 -5.180 0.694 1.00 2.90 C ATOM 40 CG GLN A 3 -23.178 -4.571 1.400 1.00 3.57 C ATOM 41 CD GLN A 3 -22.815 -3.647 2.553 1.00 4.03 C ATOM 42 OE1 GLN A 3 -22.708 -2.429 2.383 1.00 4.48 O ATOM 43 NE2 GLN A 3 -22.604 -4.217 3.728 1.00 4.40 N ATOM 0 H GLN A 3 -22.279 -3.246 -0.922 1.00 3.35 H new ATOM 0 HA GLN A 3 -20.407 -3.817 1.237 1.00 2.68 H new ATOM 0 HB2 GLN A 3 -22.308 -5.681 -0.213 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -21.536 -5.945 1.338 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -23.769 -4.014 0.673 1.00 3.57 H new ATOM 0 HG3 GLN A 3 -23.810 -5.375 1.776 1.00 3.57 H new ATOM 0 HE21 GLN A 3 -22.702 -5.227 3.830 1.00 4.40 H new ATOM 0 HE22 GLN A 3 -22.343 -3.646 4.532 1.00 4.40 H new ATOM 52 N SER A 4 -19.055 -5.742 0.067 1.00 1.43 N ATOM 53 CA SER A 4 -17.976 -6.422 -0.620 1.00 0.82 C ATOM 54 C SER A 4 -18.515 -7.516 -1.535 1.00 0.93 C ATOM 55 O SER A 4 -19.266 -8.395 -1.105 1.00 1.64 O ATOM 56 CB SER A 4 -16.998 -6.994 0.404 1.00 0.60 C ATOM 57 OG SER A 4 -17.690 -7.508 1.530 1.00 1.23 O ATOM 0 H SER A 4 -19.172 -6.018 1.042 1.00 1.43 H new ATOM 0 HA SER A 4 -17.448 -5.704 -1.248 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.405 -7.784 -0.056 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.303 -6.217 0.722 1.00 0.60 H new ATOM 0 HG SER A 4 -17.375 -8.416 1.721 1.00 1.23 H new ATOM 63 N ALA A 5 -18.159 -7.431 -2.806 1.00 1.31 N ATOM 64 CA ALA A 5 -18.593 -8.409 -3.787 1.00 1.41 C ATOM 65 C ALA A 5 -17.447 -9.335 -4.169 1.00 1.33 C ATOM 66 O ALA A 5 -17.558 -10.557 -4.073 1.00 1.96 O ATOM 67 CB ALA A 5 -19.143 -7.706 -5.018 1.00 1.72 C ATOM 0 H ALA A 5 -17.568 -6.690 -3.183 1.00 1.31 H new ATOM 0 HA ALA A 5 -19.385 -9.014 -3.346 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -19.466 -8.449 -5.747 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -19.992 -7.084 -4.733 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -18.366 -7.080 -5.457 1.00 1.72 H new ATOM 73 N SER A 6 -16.337 -8.746 -4.588 1.00 1.05 N ATOM 74 CA SER A 6 -15.181 -9.511 -5.032 1.00 0.98 C ATOM 75 C SER A 6 -14.151 -9.677 -3.914 1.00 0.84 C ATOM 76 O SER A 6 -12.965 -9.860 -4.184 1.00 0.79 O ATOM 77 CB SER A 6 -14.541 -8.812 -6.230 1.00 1.17 C ATOM 78 OG SER A 6 -15.503 -8.557 -7.240 1.00 1.25 O ATOM 0 H SER A 6 -16.212 -7.735 -4.630 1.00 1.05 H new ATOM 0 HA SER A 6 -15.521 -10.506 -5.319 1.00 0.98 H new ATOM 0 HB2 SER A 6 -14.087 -7.874 -5.909 1.00 1.17 H new ATOM 0 HB3 SER A 6 -13.740 -9.432 -6.633 1.00 1.17 H new ATOM 0 HG SER A 6 -15.072 -8.108 -7.997 1.00 1.25 H new ATOM 84 N ASP A 7 -14.614 -9.657 -2.665 1.00 0.83 N ATOM 85 CA ASP A 7 -13.715 -9.735 -1.508 1.00 0.77 C ATOM 86 C ASP A 7 -12.925 -11.035 -1.507 1.00 0.72 C ATOM 87 O ASP A 7 -11.834 -11.103 -0.946 1.00 0.82 O ATOM 88 CB ASP A 7 -14.496 -9.610 -0.195 1.00 0.85 C ATOM 89 CG ASP A 7 -15.403 -10.798 0.065 1.00 0.92 C ATOM 90 OD1 ASP A 7 -14.927 -11.795 0.642 1.00 1.36 O ATOM 91 OD2 ASP A 7 -16.595 -10.743 -0.313 1.00 1.18 O ATOM 0 H ASP A 7 -15.603 -9.588 -2.426 1.00 0.83 H new ATOM 0 HA ASP A 7 -13.017 -8.902 -1.588 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -13.793 -9.507 0.632 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -15.095 -8.700 -0.219 1.00 0.85 H new ATOM 96 N SER A 8 -13.480 -12.063 -2.123 1.00 0.69 N ATOM 97 CA SER A 8 -12.803 -13.340 -2.235 1.00 0.75 C ATOM 98 C SER A 8 -12.192 -13.511 -3.622 1.00 0.78 C ATOM 99 O SER A 8 -11.021 -13.868 -3.753 1.00 1.03 O ATOM 100 CB SER A 8 -13.788 -14.468 -1.927 1.00 0.89 C ATOM 101 OG SER A 8 -15.102 -14.117 -2.337 1.00 1.49 O ATOM 0 H SER A 8 -14.403 -12.037 -2.555 1.00 0.69 H new ATOM 0 HA SER A 8 -11.988 -13.376 -1.512 1.00 0.75 H new ATOM 0 HB2 SER A 8 -13.475 -15.379 -2.436 1.00 0.89 H new ATOM 0 HB3 SER A 8 -13.781 -14.681 -0.858 1.00 0.89 H new ATOM 0 HG SER A 8 -15.716 -14.853 -2.132 1.00 1.49 H new ATOM 107 N ASN A 9 -12.981 -13.220 -4.652 1.00 0.73 N ATOM 108 CA ASN A 9 -12.547 -13.397 -6.036 1.00 0.82 C ATOM 109 C ASN A 9 -11.329 -12.530 -6.352 1.00 0.77 C ATOM 110 O ASN A 9 -10.323 -13.024 -6.860 1.00 0.86 O ATOM 111 CB ASN A 9 -13.691 -13.065 -7.000 1.00 0.94 C ATOM 112 CG ASN A 9 -13.365 -13.388 -8.448 1.00 1.48 C ATOM 113 OD1 ASN A 9 -12.590 -14.440 -8.668 1.00 2.27 O flip ATOM 114 ND2 ASN A 9 -13.827 -12.707 -9.365 1.00 2.04 N flip ATOM 0 H ASN A 9 -13.930 -12.858 -4.554 1.00 0.73 H new ATOM 0 HA ASN A 9 -12.263 -14.441 -6.164 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -14.581 -13.619 -6.702 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -13.932 -12.005 -6.916 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -14.420 -11.904 -9.155 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -13.616 -12.946 -10.334 1.00 2.04 H new ATOM 121 N LYS A 10 -11.409 -11.244 -6.030 1.00 0.72 N ATOM 122 CA LYS A 10 -10.313 -10.324 -6.326 1.00 0.75 C ATOM 123 C LYS A 10 -9.127 -10.610 -5.413 1.00 0.70 C ATOM 124 O LYS A 10 -7.975 -10.542 -5.834 1.00 0.76 O ATOM 125 CB LYS A 10 -10.756 -8.864 -6.166 1.00 0.83 C ATOM 126 CG LYS A 10 -9.728 -7.864 -6.679 1.00 0.99 C ATOM 127 CD LYS A 10 -10.154 -6.426 -6.430 1.00 1.03 C ATOM 128 CE LYS A 10 -9.282 -5.448 -7.204 1.00 1.11 C ATOM 129 NZ LYS A 10 -9.458 -5.593 -8.674 1.00 1.56 N ATOM 0 H LYS A 10 -12.212 -10.816 -5.569 1.00 0.72 H new ATOM 0 HA LYS A 10 -10.015 -10.478 -7.363 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -11.695 -8.716 -6.699 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -10.953 -8.664 -5.113 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -8.770 -8.047 -6.192 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -9.576 -8.017 -7.748 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -11.196 -6.297 -6.723 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -10.093 -6.206 -5.364 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -9.528 -4.428 -6.907 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -8.236 -5.611 -6.946 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -9.134 -4.727 -9.150 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -8.900 -6.403 -9.012 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -10.463 -5.751 -8.889 1.00 1.56 H new ATOM 143 N SER A 11 -9.425 -10.957 -4.169 1.00 0.65 N ATOM 144 CA SER A 11 -8.395 -11.212 -3.172 1.00 0.64 C ATOM 145 C SER A 11 -7.456 -12.328 -3.627 1.00 0.66 C ATOM 146 O SER A 11 -6.238 -12.171 -3.589 1.00 0.67 O ATOM 147 CB SER A 11 -9.040 -11.569 -1.831 1.00 0.67 C ATOM 148 OG SER A 11 -8.078 -11.638 -0.793 1.00 1.52 O ATOM 0 H SER A 11 -10.378 -11.069 -3.824 1.00 0.65 H new ATOM 0 HA SER A 11 -7.803 -10.305 -3.050 1.00 0.64 H new ATOM 0 HB2 SER A 11 -9.795 -10.824 -1.580 1.00 0.67 H new ATOM 0 HB3 SER A 11 -9.553 -12.527 -1.917 1.00 0.67 H new ATOM 0 HG SER A 11 -8.232 -10.910 -0.155 1.00 1.52 H new ATOM 154 N GLN A 12 -8.032 -13.440 -4.078 1.00 0.72 N ATOM 155 CA GLN A 12 -7.249 -14.588 -4.531 1.00 0.81 C ATOM 156 C GLN A 12 -6.262 -14.188 -5.627 1.00 0.79 C ATOM 157 O GLN A 12 -5.071 -14.486 -5.544 1.00 0.85 O ATOM 158 CB GLN A 12 -8.179 -15.686 -5.051 1.00 0.95 C ATOM 159 CG GLN A 12 -9.032 -16.331 -3.971 1.00 1.19 C ATOM 160 CD GLN A 12 -10.029 -17.325 -4.537 1.00 1.74 C ATOM 161 OE1 GLN A 12 -9.794 -17.935 -5.581 1.00 2.34 O ATOM 162 NE2 GLN A 12 -11.144 -17.506 -3.845 1.00 2.40 N ATOM 0 H GLN A 12 -9.042 -13.571 -4.140 1.00 0.72 H new ATOM 0 HA GLN A 12 -6.682 -14.964 -3.679 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -8.833 -15.264 -5.814 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -7.580 -16.457 -5.536 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -8.385 -16.838 -3.255 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -9.567 -15.555 -3.423 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -11.301 -16.981 -2.985 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -11.845 -18.170 -4.172 1.00 2.40 H new ATOM 171 N ASN A 13 -6.761 -13.486 -6.634 1.00 0.77 N ATOM 172 CA ASN A 13 -5.946 -13.118 -7.789 1.00 0.81 C ATOM 173 C ASN A 13 -4.923 -12.041 -7.432 1.00 0.73 C ATOM 174 O ASN A 13 -3.798 -12.048 -7.938 1.00 0.76 O ATOM 175 CB ASN A 13 -6.836 -12.641 -8.941 1.00 0.95 C ATOM 176 CG ASN A 13 -7.690 -13.756 -9.518 1.00 1.41 C ATOM 177 OD1 ASN A 13 -7.256 -14.487 -10.407 1.00 2.14 O ATOM 178 ND2 ASN A 13 -8.914 -13.892 -9.028 1.00 1.63 N ATOM 0 H ASN A 13 -7.726 -13.158 -6.677 1.00 0.77 H new ATOM 0 HA ASN A 13 -5.400 -14.007 -8.106 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -7.483 -11.838 -8.587 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -6.211 -12.222 -9.729 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -9.529 -14.621 -9.388 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -9.240 -13.267 -8.291 1.00 1.63 H new ATOM 185 N ALA A 14 -5.312 -11.126 -6.551 1.00 0.69 N ATOM 186 CA ALA A 14 -4.439 -10.032 -6.145 1.00 0.66 C ATOM 187 C ALA A 14 -3.326 -10.530 -5.232 1.00 0.59 C ATOM 188 O ALA A 14 -2.157 -10.194 -5.426 1.00 0.61 O ATOM 189 CB ALA A 14 -5.244 -8.940 -5.455 1.00 0.68 C ATOM 0 H ALA A 14 -6.229 -11.121 -6.104 1.00 0.69 H new ATOM 0 HA ALA A 14 -3.979 -9.615 -7.041 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -4.578 -8.130 -5.158 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -5.999 -8.556 -6.141 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -5.732 -9.351 -4.571 1.00 0.68 H new ATOM 195 N ILE A 15 -3.688 -11.344 -4.246 1.00 0.59 N ATOM 196 CA ILE A 15 -2.712 -11.881 -3.304 1.00 0.60 C ATOM 197 C ILE A 15 -1.712 -12.778 -4.021 1.00 0.59 C ATOM 198 O ILE A 15 -0.518 -12.707 -3.761 1.00 0.59 O ATOM 199 CB ILE A 15 -3.388 -12.664 -2.150 1.00 0.72 C ATOM 200 CG1 ILE A 15 -4.244 -11.719 -1.294 1.00 0.87 C ATOM 201 CG2 ILE A 15 -2.346 -13.373 -1.291 1.00 0.77 C ATOM 202 CD1 ILE A 15 -3.460 -10.594 -0.648 1.00 1.80 C ATOM 0 H ILE A 15 -4.648 -11.646 -4.078 1.00 0.59 H new ATOM 0 HA ILE A 15 -2.187 -11.031 -2.869 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.038 -13.423 -2.585 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -5.028 -11.290 -1.918 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -4.738 -12.299 -0.514 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -2.845 -13.916 -0.488 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -1.782 -14.074 -1.907 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -1.665 -12.637 -0.863 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -4.135 -9.971 -0.061 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -2.693 -11.012 0.004 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -2.988 -9.988 -1.422 1.00 1.80 H new ATOM 214 N SER A 16 -2.197 -13.598 -4.947 1.00 0.64 N ATOM 215 CA SER A 16 -1.326 -14.478 -5.718 1.00 0.70 C ATOM 216 C SER A 16 -0.243 -13.674 -6.442 1.00 0.69 C ATOM 217 O SER A 16 0.878 -14.150 -6.635 1.00 0.79 O ATOM 218 CB SER A 16 -2.153 -15.286 -6.722 1.00 0.81 C ATOM 219 OG SER A 16 -1.356 -16.228 -7.421 1.00 1.28 O ATOM 0 H SER A 16 -3.187 -13.672 -5.182 1.00 0.64 H new ATOM 0 HA SER A 16 -0.834 -15.166 -5.031 1.00 0.70 H new ATOM 0 HB2 SER A 16 -2.955 -15.806 -6.198 1.00 0.81 H new ATOM 0 HB3 SER A 16 -2.624 -14.608 -7.434 1.00 0.81 H new ATOM 0 HG SER A 16 -1.916 -16.727 -8.052 1.00 1.28 H new ATOM 225 N GLU A 17 -0.575 -12.441 -6.812 1.00 0.68 N ATOM 226 CA GLU A 17 0.358 -11.569 -7.508 1.00 0.75 C ATOM 227 C GLU A 17 1.449 -11.082 -6.559 1.00 0.69 C ATOM 228 O GLU A 17 2.640 -11.273 -6.812 1.00 0.75 O ATOM 229 CB GLU A 17 -0.391 -10.372 -8.099 1.00 0.88 C ATOM 230 CG GLU A 17 0.449 -9.523 -9.038 1.00 1.30 C ATOM 231 CD GLU A 17 0.882 -10.285 -10.270 1.00 1.49 C ATOM 232 OE1 GLU A 17 0.029 -10.563 -11.134 1.00 2.07 O ATOM 233 OE2 GLU A 17 2.082 -10.619 -10.374 1.00 1.70 O ATOM 0 H GLU A 17 -1.489 -12.024 -6.639 1.00 0.68 H new ATOM 0 HA GLU A 17 0.827 -12.134 -8.313 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -1.267 -10.734 -8.638 1.00 0.88 H new ATOM 0 HB3 GLU A 17 -0.754 -9.745 -7.285 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -0.122 -8.645 -9.339 1.00 1.30 H new ATOM 0 HG3 GLU A 17 1.331 -9.163 -8.508 1.00 1.30 H new ATOM 240 N VAL A 18 1.032 -10.477 -5.455 1.00 0.64 N ATOM 241 CA VAL A 18 1.969 -9.861 -4.523 1.00 0.69 C ATOM 242 C VAL A 18 2.741 -10.907 -3.716 1.00 0.67 C ATOM 243 O VAL A 18 3.935 -10.743 -3.468 1.00 0.76 O ATOM 244 CB VAL A 18 1.256 -8.878 -3.565 1.00 0.75 C ATOM 245 CG1 VAL A 18 0.660 -7.721 -4.347 1.00 1.59 C ATOM 246 CG2 VAL A 18 0.173 -9.577 -2.755 1.00 1.43 C ATOM 0 H VAL A 18 0.052 -10.399 -5.182 1.00 0.64 H new ATOM 0 HA VAL A 18 2.682 -9.301 -5.127 1.00 0.69 H new ATOM 0 HB VAL A 18 2.000 -8.493 -2.868 1.00 0.75 H new ATOM 0 HG11 VAL A 18 0.161 -7.037 -3.661 1.00 1.59 H new ATOM 0 HG12 VAL A 18 1.453 -7.192 -4.875 1.00 1.59 H new ATOM 0 HG13 VAL A 18 -0.063 -8.103 -5.068 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -0.308 -8.857 -2.092 1.00 1.43 H new ATOM 0 HG22 VAL A 18 -0.570 -10.001 -3.430 1.00 1.43 H new ATOM 0 HG23 VAL A 18 0.620 -10.374 -2.161 1.00 1.43 H new ATOM 256 N MET A 19 2.067 -11.993 -3.350 1.00 0.65 N ATOM 257 CA MET A 19 2.674 -13.059 -2.552 1.00 0.75 C ATOM 258 C MET A 19 3.823 -13.719 -3.309 1.00 0.74 C ATOM 259 O MET A 19 4.744 -14.280 -2.709 1.00 0.78 O ATOM 260 CB MET A 19 1.614 -14.105 -2.184 1.00 0.89 C ATOM 261 CG MET A 19 2.120 -15.226 -1.288 1.00 1.25 C ATOM 262 SD MET A 19 0.871 -16.498 -1.008 1.00 2.00 S ATOM 263 CE MET A 19 1.801 -17.664 -0.015 1.00 2.13 C ATOM 0 H MET A 19 1.091 -12.161 -3.595 1.00 0.65 H new ATOM 0 HA MET A 19 3.076 -12.619 -1.639 1.00 0.75 H new ATOM 0 HB2 MET A 19 0.785 -13.604 -1.685 1.00 0.89 H new ATOM 0 HB3 MET A 19 1.217 -14.541 -3.101 1.00 0.89 H new ATOM 0 HG2 MET A 19 3.002 -15.680 -1.741 1.00 1.25 H new ATOM 0 HG3 MET A 19 2.432 -14.809 -0.330 1.00 1.25 H new ATOM 0 HE1 MET A 19 1.165 -18.512 0.241 1.00 2.13 H new ATOM 0 HE2 MET A 19 2.664 -18.016 -0.580 1.00 2.13 H new ATOM 0 HE3 MET A 19 2.140 -17.175 0.898 1.00 2.13 H new ATOM 273 N SER A 20 3.763 -13.654 -4.634 1.00 0.75 N ATOM 274 CA SER A 20 4.824 -14.198 -5.471 1.00 0.82 C ATOM 275 C SER A 20 6.005 -13.230 -5.528 1.00 0.82 C ATOM 276 O SER A 20 7.156 -13.645 -5.656 1.00 0.90 O ATOM 277 CB SER A 20 4.297 -14.476 -6.880 1.00 0.91 C ATOM 278 OG SER A 20 3.208 -15.388 -6.851 1.00 1.63 O ATOM 0 H SER A 20 2.992 -13.231 -5.151 1.00 0.75 H new ATOM 0 HA SER A 20 5.165 -15.137 -5.034 1.00 0.82 H new ATOM 0 HB2 SER A 20 3.980 -13.542 -7.343 1.00 0.91 H new ATOM 0 HB3 SER A 20 5.098 -14.882 -7.497 1.00 0.91 H new ATOM 0 HG SER A 20 2.365 -14.890 -6.801 1.00 1.63 H new ATOM 284 N ALA A 21 5.714 -11.942 -5.404 1.00 0.78 N ATOM 285 CA ALA A 21 6.739 -10.913 -5.484 1.00 0.85 C ATOM 286 C ALA A 21 7.439 -10.735 -4.141 1.00 0.82 C ATOM 287 O ALA A 21 8.658 -10.578 -4.085 1.00 0.89 O ATOM 288 CB ALA A 21 6.131 -9.599 -5.952 1.00 0.93 C ATOM 0 H ALA A 21 4.772 -11.585 -5.247 1.00 0.78 H new ATOM 0 HA ALA A 21 7.486 -11.229 -6.212 1.00 0.85 H new ATOM 0 HB1 ALA A 21 6.909 -8.837 -6.007 1.00 0.93 H new ATOM 0 HB2 ALA A 21 5.685 -9.735 -6.937 1.00 0.93 H new ATOM 0 HB3 ALA A 21 5.363 -9.282 -5.247 1.00 0.93 H new ATOM 294 N THR A 22 6.666 -10.784 -3.061 1.00 0.78 N ATOM 295 CA THR A 22 7.208 -10.613 -1.719 1.00 0.83 C ATOM 296 C THR A 22 8.203 -11.720 -1.386 1.00 0.87 C ATOM 297 O THR A 22 9.314 -11.458 -0.928 1.00 0.94 O ATOM 298 CB THR A 22 6.085 -10.599 -0.663 1.00 0.89 C ATOM 299 OG1 THR A 22 5.229 -11.734 -0.849 1.00 1.42 O ATOM 300 CG2 THR A 22 5.269 -9.320 -0.750 1.00 1.93 C ATOM 0 H THR A 22 5.659 -10.941 -3.090 1.00 0.78 H new ATOM 0 HA THR A 22 7.724 -9.653 -1.699 1.00 0.83 H new ATOM 0 HB THR A 22 6.544 -10.645 0.324 1.00 0.89 H new ATOM 0 HG1 THR A 22 4.421 -11.627 -0.305 1.00 1.42 H new ATOM 0 HG21 THR A 22 4.484 -9.337 0.006 1.00 1.93 H new ATOM 0 HG22 THR A 22 5.919 -8.462 -0.579 1.00 1.93 H new ATOM 0 HG23 THR A 22 4.818 -9.243 -1.739 1.00 1.93 H new ATOM 308 N SER A 23 7.806 -12.957 -1.648 1.00 0.89 N ATOM 309 CA SER A 23 8.652 -14.107 -1.371 1.00 0.99 C ATOM 310 C SER A 23 9.916 -14.080 -2.233 1.00 1.01 C ATOM 311 O SER A 23 11.008 -14.408 -1.764 1.00 1.11 O ATOM 312 CB SER A 23 7.863 -15.396 -1.601 1.00 1.07 C ATOM 313 OG SER A 23 7.170 -15.353 -2.840 1.00 1.55 O ATOM 0 H SER A 23 6.899 -13.190 -2.054 1.00 0.89 H new ATOM 0 HA SER A 23 8.966 -14.067 -0.328 1.00 0.99 H new ATOM 0 HB2 SER A 23 8.541 -16.249 -1.589 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.152 -15.542 -0.787 1.00 1.07 H new ATOM 0 HG SER A 23 6.237 -15.098 -2.684 1.00 1.55 H new ATOM 319 N ALA A 24 9.762 -13.667 -3.485 1.00 0.96 N ATOM 320 CA ALA A 24 10.878 -13.611 -4.418 1.00 1.03 C ATOM 321 C ALA A 24 11.857 -12.504 -4.043 1.00 1.01 C ATOM 322 O ALA A 24 13.073 -12.711 -4.053 1.00 1.10 O ATOM 323 CB ALA A 24 10.374 -13.410 -5.839 1.00 1.05 C ATOM 0 H ALA A 24 8.871 -13.365 -3.878 1.00 0.96 H new ATOM 0 HA ALA A 24 11.407 -14.562 -4.363 1.00 1.03 H new ATOM 0 HB1 ALA A 24 11.221 -13.370 -6.523 1.00 1.05 H new ATOM 0 HB2 ALA A 24 9.723 -14.240 -6.115 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.816 -12.476 -5.898 1.00 1.05 H new ATOM 329 N ILE A 25 11.325 -11.336 -3.691 1.00 0.93 N ATOM 330 CA ILE A 25 12.157 -10.185 -3.374 1.00 0.93 C ATOM 331 C ILE A 25 12.964 -10.436 -2.096 1.00 0.97 C ATOM 332 O ILE A 25 14.078 -9.935 -1.948 1.00 1.02 O ATOM 333 CB ILE A 25 11.311 -8.890 -3.237 1.00 0.89 C ATOM 334 CG1 ILE A 25 12.176 -7.653 -3.484 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.650 -8.796 -1.871 1.00 1.11 C ATOM 336 CD1 ILE A 25 12.742 -7.583 -4.886 1.00 1.56 C ATOM 0 H ILE A 25 10.322 -11.165 -3.619 1.00 0.93 H new ATOM 0 HA ILE A 25 12.851 -10.043 -4.203 1.00 0.93 H new ATOM 0 HB ILE A 25 10.525 -8.933 -3.991 1.00 0.89 H new ATOM 0 HG12 ILE A 25 11.581 -6.760 -3.296 1.00 1.23 H new ATOM 0 HG13 ILE A 25 12.998 -7.645 -2.768 1.00 1.23 H new ATOM 0 HG21 ILE A 25 10.067 -7.877 -1.812 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.993 -9.653 -1.725 1.00 1.11 H new ATOM 0 HG23 ILE A 25 11.416 -8.790 -1.096 1.00 1.11 H new ATOM 0 HD11 ILE A 25 13.345 -6.681 -4.990 1.00 1.56 H new ATOM 0 HD12 ILE A 25 13.364 -8.459 -5.071 1.00 1.56 H new ATOM 0 HD13 ILE A 25 11.925 -7.559 -5.607 1.00 1.56 H new ATOM 348 N ASN A 26 12.409 -11.244 -1.195 1.00 0.98 N ATOM 349 CA ASN A 26 13.097 -11.596 0.045 1.00 1.08 C ATOM 350 C ASN A 26 14.369 -12.370 -0.250 1.00 1.12 C ATOM 351 O ASN A 26 15.385 -12.179 0.413 1.00 1.20 O ATOM 352 CB ASN A 26 12.190 -12.412 0.972 1.00 1.15 C ATOM 353 CG ASN A 26 11.147 -11.557 1.665 1.00 1.48 C ATOM 354 OD1 ASN A 26 11.361 -10.369 1.892 1.00 1.96 O ATOM 355 ND2 ASN A 26 10.019 -12.155 2.018 1.00 2.02 N ATOM 0 H ASN A 26 11.487 -11.667 -1.300 1.00 0.98 H new ATOM 0 HA ASN A 26 13.358 -10.667 0.553 1.00 1.08 H new ATOM 0 HB2 ASN A 26 11.691 -13.190 0.394 1.00 1.15 H new ATOM 0 HB3 ASN A 26 12.801 -12.914 1.723 1.00 1.15 H new ATOM 0 HD21 ASN A 26 9.290 -11.626 2.497 1.00 2.02 H new ATOM 0 HD22 ASN A 26 9.880 -13.144 1.811 1.00 2.02 H new ATOM 362 N GLY A 27 14.312 -13.220 -1.270 1.00 1.12 N ATOM 363 CA GLY A 27 15.471 -14.005 -1.656 1.00 1.20 C ATOM 364 C GLY A 27 16.579 -13.146 -2.236 1.00 1.23 C ATOM 365 O GLY A 27 17.743 -13.543 -2.245 1.00 1.36 O ATOM 0 H GLY A 27 13.480 -13.380 -1.839 1.00 1.12 H new ATOM 0 HA2 GLY A 27 15.849 -14.543 -0.787 1.00 1.20 H new ATOM 0 HA3 GLY A 27 15.172 -14.754 -2.390 1.00 1.20 H new ATOM 369 N LEU A 28 16.214 -11.964 -2.716 1.00 1.16 N ATOM 370 CA LEU A 28 17.180 -11.041 -3.295 1.00 1.22 C ATOM 371 C LEU A 28 17.763 -10.126 -2.223 1.00 1.28 C ATOM 372 O LEU A 28 18.886 -9.633 -2.349 1.00 1.42 O ATOM 373 CB LEU A 28 16.514 -10.202 -4.387 1.00 1.18 C ATOM 374 CG LEU A 28 15.907 -11.003 -5.539 1.00 1.39 C ATOM 375 CD1 LEU A 28 15.201 -10.084 -6.522 1.00 1.69 C ATOM 376 CD2 LEU A 28 16.983 -11.812 -6.240 1.00 1.81 C ATOM 0 H LEU A 28 15.253 -11.622 -2.715 1.00 1.16 H new ATOM 0 HA LEU A 28 17.991 -11.623 -3.733 1.00 1.22 H new ATOM 0 HB2 LEU A 28 15.729 -9.598 -3.932 1.00 1.18 H new ATOM 0 HB3 LEU A 28 17.252 -9.511 -4.794 1.00 1.18 H new ATOM 0 HG LEU A 28 15.167 -11.690 -5.129 1.00 1.39 H new ATOM 0 HD11 LEU A 28 14.777 -10.676 -7.333 1.00 1.69 H new ATOM 0 HD12 LEU A 28 14.403 -9.547 -6.009 1.00 1.69 H new ATOM 0 HD13 LEU A 28 15.916 -9.369 -6.930 1.00 1.69 H new ATOM 0 HD21 LEU A 28 16.538 -12.378 -7.058 1.00 1.81 H new ATOM 0 HD22 LEU A 28 17.744 -11.139 -6.636 1.00 1.81 H new ATOM 0 HD23 LEU A 28 17.441 -12.501 -5.530 1.00 1.81 H new ATOM 388 N TYR A 29 16.998 -9.911 -1.163 1.00 1.22 N ATOM 389 CA TYR A 29 17.395 -8.987 -0.110 1.00 1.31 C ATOM 390 C TYR A 29 17.698 -9.713 1.197 1.00 1.58 C ATOM 391 O TYR A 29 17.546 -9.141 2.278 1.00 2.30 O ATOM 392 CB TYR A 29 16.300 -7.938 0.116 1.00 1.13 C ATOM 393 CG TYR A 29 16.189 -6.911 -0.993 1.00 0.94 C ATOM 394 CD1 TYR A 29 15.632 -7.245 -2.222 1.00 0.91 C ATOM 395 CD2 TYR A 29 16.642 -5.611 -0.816 1.00 0.90 C ATOM 396 CE1 TYR A 29 15.536 -6.316 -3.241 1.00 0.87 C ATOM 397 CE2 TYR A 29 16.548 -4.676 -1.829 1.00 0.84 C ATOM 398 CZ TYR A 29 15.972 -5.016 -3.021 1.00 0.85 C ATOM 399 OH TYR A 29 15.907 -4.104 -4.050 1.00 0.96 O ATOM 0 H TYR A 29 16.097 -10.364 -1.009 1.00 1.22 H new ATOM 0 HA TYR A 29 18.310 -8.492 -0.436 1.00 1.31 H new ATOM 0 HB2 TYR A 29 15.342 -8.446 0.223 1.00 1.13 H new ATOM 0 HB3 TYR A 29 16.494 -7.422 1.056 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.268 -8.249 -2.384 1.00 0.91 H new ATOM 0 HD2 TYR A 29 17.076 -5.325 0.131 1.00 0.90 H new ATOM 0 HE1 TYR A 29 15.126 -6.599 -4.199 1.00 0.87 H new ATOM 0 HE2 TYR A 29 16.930 -3.677 -1.679 1.00 0.84 H new ATOM 0 HH TYR A 29 15.158 -4.330 -4.640 1.00 0.96 H new ATOM 409 N ILE A 30 18.157 -10.956 1.100 1.00 1.25 N ATOM 410 CA ILE A 30 18.534 -11.725 2.283 1.00 1.45 C ATOM 411 C ILE A 30 19.711 -11.062 2.991 1.00 1.45 C ATOM 412 O ILE A 30 19.694 -10.873 4.210 1.00 1.99 O ATOM 413 CB ILE A 30 18.909 -13.183 1.936 1.00 1.67 C ATOM 414 CG1 ILE A 30 17.739 -13.892 1.251 1.00 1.88 C ATOM 415 CG2 ILE A 30 19.323 -13.936 3.194 1.00 1.89 C ATOM 416 CD1 ILE A 30 18.039 -15.320 0.858 1.00 2.50 C ATOM 0 H ILE A 30 18.277 -11.453 0.217 1.00 1.25 H new ATOM 0 HA ILE A 30 17.664 -11.745 2.939 1.00 1.45 H new ATOM 0 HB ILE A 30 19.752 -13.167 1.245 1.00 1.67 H new ATOM 0 HG12 ILE A 30 16.878 -13.882 1.919 1.00 1.88 H new ATOM 0 HG13 ILE A 30 17.457 -13.331 0.360 1.00 1.88 H new ATOM 0 HG21 ILE A 30 19.584 -14.962 2.935 1.00 1.89 H new ATOM 0 HG22 ILE A 30 20.185 -13.445 3.645 1.00 1.89 H new ATOM 0 HG23 ILE A 30 18.496 -13.941 3.904 1.00 1.89 H new ATOM 0 HD11 ILE A 30 17.163 -15.757 0.378 1.00 2.50 H new ATOM 0 HD12 ILE A 30 18.879 -15.338 0.164 1.00 2.50 H new ATOM 0 HD13 ILE A 30 18.291 -15.897 1.748 1.00 2.50 H new ATOM 428 N GLY A 31 20.721 -10.688 2.210 1.00 1.43 N ATOM 429 CA GLY A 31 21.888 -10.026 2.760 1.00 1.69 C ATOM 430 C GLY A 31 21.551 -8.663 3.323 1.00 1.52 C ATOM 431 O GLY A 31 22.244 -8.149 4.199 1.00 1.93 O ATOM 0 H GLY A 31 20.750 -10.833 1.201 1.00 1.43 H new ATOM 0 HA2 GLY A 31 22.321 -10.646 3.545 1.00 1.69 H new ATOM 0 HA3 GLY A 31 22.645 -9.921 1.983 1.00 1.69 H new ATOM 435 N GLN A 32 20.478 -8.081 2.812 1.00 1.16 N ATOM 436 CA GLN A 32 19.992 -6.799 3.296 1.00 1.10 C ATOM 437 C GLN A 32 19.280 -6.981 4.620 1.00 1.14 C ATOM 438 O GLN A 32 19.557 -6.276 5.591 1.00 1.93 O ATOM 439 CB GLN A 32 19.015 -6.190 2.296 1.00 1.09 C ATOM 440 CG GLN A 32 19.588 -6.021 0.910 1.00 1.38 C ATOM 441 CD GLN A 32 20.266 -4.680 0.706 1.00 2.15 C ATOM 442 OE1 GLN A 32 20.756 -4.063 1.650 1.00 2.74 O ATOM 443 NE2 GLN A 32 20.299 -4.227 -0.535 1.00 2.84 N ATOM 0 H GLN A 32 19.923 -8.481 2.055 1.00 1.16 H new ATOM 0 HA GLN A 32 20.847 -6.135 3.422 1.00 1.10 H new ATOM 0 HB2 GLN A 32 18.128 -6.821 2.238 1.00 1.09 H new ATOM 0 HB3 GLN A 32 18.690 -5.217 2.666 1.00 1.09 H new ATOM 0 HG2 GLN A 32 20.308 -6.818 0.721 1.00 1.38 H new ATOM 0 HG3 GLN A 32 18.789 -6.133 0.177 1.00 1.38 H new ATOM 0 HE21 GLN A 32 19.880 -4.772 -1.288 1.00 2.84 H new ATOM 0 HE22 GLN A 32 20.744 -3.332 -0.740 1.00 2.84 H new ATOM 452 N THR A 33 18.351 -7.932 4.630 1.00 1.15 N ATOM 453 CA THR A 33 17.476 -8.185 5.771 1.00 1.20 C ATOM 454 C THR A 33 16.459 -7.050 5.940 1.00 1.09 C ATOM 455 O THR A 33 15.248 -7.277 5.902 1.00 1.21 O ATOM 456 CB THR A 33 18.291 -8.381 7.070 1.00 1.54 C ATOM 457 OG1 THR A 33 19.246 -9.438 6.884 1.00 1.91 O ATOM 458 CG2 THR A 33 17.380 -8.719 8.239 1.00 1.83 C ATOM 0 H THR A 33 18.182 -8.554 3.840 1.00 1.15 H new ATOM 0 HA THR A 33 16.932 -9.109 5.573 1.00 1.20 H new ATOM 0 HB THR A 33 18.809 -7.449 7.295 1.00 1.54 H new ATOM 0 HG1 THR A 33 19.182 -9.779 5.967 1.00 1.91 H new ATOM 0 HG21 THR A 33 17.979 -8.852 9.140 1.00 1.83 H new ATOM 0 HG22 THR A 33 16.668 -7.908 8.392 1.00 1.83 H new ATOM 0 HG23 THR A 33 16.839 -9.640 8.024 1.00 1.83 H new ATOM 466 N SER A 34 16.965 -5.836 6.091 1.00 1.12 N ATOM 467 CA SER A 34 16.126 -4.662 6.258 1.00 1.35 C ATOM 468 C SER A 34 16.050 -3.846 4.965 1.00 1.13 C ATOM 469 O SER A 34 15.585 -2.708 4.978 1.00 1.18 O ATOM 470 CB SER A 34 16.682 -3.803 7.393 1.00 1.82 C ATOM 471 OG SER A 34 16.848 -4.571 8.574 1.00 2.42 O ATOM 0 H SER A 34 17.966 -5.638 6.101 1.00 1.12 H new ATOM 0 HA SER A 34 15.115 -4.987 6.504 1.00 1.35 H new ATOM 0 HB2 SER A 34 17.639 -3.375 7.095 1.00 1.82 H new ATOM 0 HB3 SER A 34 16.007 -2.970 7.588 1.00 1.82 H new ATOM 0 HG SER A 34 17.206 -4.002 9.287 1.00 2.42 H new ATOM 477 N TYR A 35 16.502 -4.439 3.847 1.00 0.96 N ATOM 478 CA TYR A 35 16.465 -3.771 2.540 1.00 0.78 C ATOM 479 C TYR A 35 17.257 -2.459 2.596 1.00 0.74 C ATOM 480 O TYR A 35 16.910 -1.484 1.928 1.00 0.68 O ATOM 481 CB TYR A 35 15.018 -3.469 2.109 1.00 0.90 C ATOM 482 CG TYR A 35 14.052 -4.638 2.185 1.00 0.97 C ATOM 483 CD1 TYR A 35 13.444 -4.978 3.385 1.00 0.97 C ATOM 484 CD2 TYR A 35 13.722 -5.374 1.055 1.00 1.27 C ATOM 485 CE1 TYR A 35 12.547 -6.021 3.461 1.00 1.12 C ATOM 486 CE2 TYR A 35 12.816 -6.417 1.122 1.00 1.37 C ATOM 487 CZ TYR A 35 12.233 -6.735 2.330 1.00 1.23 C ATOM 488 OH TYR A 35 11.317 -7.756 2.410 1.00 1.41 O ATOM 0 H TYR A 35 16.897 -5.379 3.825 1.00 0.96 H new ATOM 0 HA TYR A 35 16.914 -4.444 1.810 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.633 -2.662 2.733 1.00 0.90 H new ATOM 0 HB3 TYR A 35 15.033 -3.100 1.084 1.00 0.90 H new ATOM 0 HD1 TYR A 35 13.678 -4.415 4.276 1.00 0.97 H new ATOM 0 HD2 TYR A 35 14.180 -5.128 0.108 1.00 1.27 H new ATOM 0 HE1 TYR A 35 12.092 -6.277 4.407 1.00 1.12 H new ATOM 0 HE2 TYR A 35 12.567 -6.979 0.234 1.00 1.37 H new ATOM 0 HH TYR A 35 11.730 -8.591 2.106 1.00 1.41 H new ATOM 498 N SER A 36 18.341 -2.469 3.369 1.00 0.89 N ATOM 499 CA SER A 36 19.120 -1.266 3.667 1.00 1.03 C ATOM 500 C SER A 36 19.553 -0.525 2.398 1.00 1.25 C ATOM 501 O SER A 36 19.617 0.707 2.382 1.00 2.03 O ATOM 502 CB SER A 36 20.346 -1.649 4.501 1.00 1.37 C ATOM 503 OG SER A 36 21.051 -0.508 4.951 1.00 2.08 O ATOM 0 H SER A 36 18.706 -3.314 3.808 1.00 0.89 H new ATOM 0 HA SER A 36 18.482 -0.585 4.231 1.00 1.03 H new ATOM 0 HB2 SER A 36 20.031 -2.244 5.359 1.00 1.37 H new ATOM 0 HB3 SER A 36 21.010 -2.275 3.905 1.00 1.37 H new ATOM 0 HG SER A 36 21.826 -0.790 5.481 1.00 2.08 H new ATOM 509 N GLY A 37 19.820 -1.277 1.334 1.00 1.42 N ATOM 510 CA GLY A 37 20.242 -0.678 0.077 1.00 1.83 C ATOM 511 C GLY A 37 19.228 0.309 -0.478 1.00 1.52 C ATOM 512 O GLY A 37 19.592 1.253 -1.183 1.00 1.88 O ATOM 0 H GLY A 37 19.752 -2.295 1.319 1.00 1.42 H new ATOM 0 HA2 GLY A 37 21.194 -0.168 0.225 1.00 1.83 H new ATOM 0 HA3 GLY A 37 20.413 -1.466 -0.656 1.00 1.83 H new ATOM 516 N LEU A 38 17.958 0.094 -0.160 1.00 0.95 N ATOM 517 CA LEU A 38 16.895 0.990 -0.595 1.00 0.77 C ATOM 518 C LEU A 38 16.648 2.066 0.455 1.00 0.68 C ATOM 519 O LEU A 38 16.346 3.213 0.126 1.00 0.66 O ATOM 520 CB LEU A 38 15.595 0.214 -0.829 1.00 0.68 C ATOM 521 CG LEU A 38 15.666 -0.902 -1.872 1.00 0.87 C ATOM 522 CD1 LEU A 38 14.318 -1.591 -1.996 1.00 1.11 C ATOM 523 CD2 LEU A 38 16.107 -0.348 -3.217 1.00 1.19 C ATOM 0 H LEU A 38 17.638 -0.696 0.400 1.00 0.95 H new ATOM 0 HA LEU A 38 17.209 1.455 -1.529 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.277 -0.220 0.119 1.00 0.68 H new ATOM 0 HB3 LEU A 38 14.822 0.920 -1.132 1.00 0.68 H new ATOM 0 HG LEU A 38 16.403 -1.636 -1.546 1.00 0.87 H new ATOM 0 HD11 LEU A 38 14.382 -2.383 -2.742 1.00 1.11 H new ATOM 0 HD12 LEU A 38 14.039 -2.020 -1.034 1.00 1.11 H new ATOM 0 HD13 LEU A 38 13.565 -0.865 -2.302 1.00 1.11 H new ATOM 0 HD21 LEU A 38 16.152 -1.157 -3.947 1.00 1.19 H new ATOM 0 HD22 LEU A 38 15.393 0.404 -3.552 1.00 1.19 H new ATOM 0 HD23 LEU A 38 17.093 0.106 -3.118 1.00 1.19 H new ATOM 535 N ASP A 39 16.797 1.682 1.717 1.00 0.76 N ATOM 536 CA ASP A 39 16.466 2.546 2.850 1.00 0.85 C ATOM 537 C ASP A 39 17.232 3.857 2.797 1.00 0.82 C ATOM 538 O ASP A 39 16.639 4.934 2.793 1.00 0.90 O ATOM 539 CB ASP A 39 16.758 1.821 4.167 1.00 1.08 C ATOM 540 CG ASP A 39 16.345 2.628 5.384 1.00 1.59 C ATOM 541 OD1 ASP A 39 15.131 2.858 5.571 1.00 2.42 O ATOM 542 OD2 ASP A 39 17.237 3.065 6.145 1.00 1.84 O ATOM 0 H ASP A 39 17.150 0.764 1.987 1.00 0.76 H new ATOM 0 HA ASP A 39 15.403 2.778 2.792 1.00 0.85 H new ATOM 0 HB2 ASP A 39 16.234 0.865 4.175 1.00 1.08 H new ATOM 0 HB3 ASP A 39 17.824 1.600 4.227 1.00 1.08 H new ATOM 547 N SER A 40 18.549 3.760 2.735 1.00 0.82 N ATOM 548 CA SER A 40 19.397 4.937 2.770 1.00 0.94 C ATOM 549 C SER A 40 19.239 5.774 1.496 1.00 0.89 C ATOM 550 O SER A 40 19.119 6.995 1.560 1.00 1.00 O ATOM 551 CB SER A 40 20.858 4.514 2.966 1.00 1.13 C ATOM 552 OG SER A 40 21.695 5.631 3.234 1.00 1.71 O ATOM 0 H SER A 40 19.054 2.877 2.660 1.00 0.82 H new ATOM 0 HA SER A 40 19.091 5.561 3.610 1.00 0.94 H new ATOM 0 HB2 SER A 40 20.924 3.803 3.790 1.00 1.13 H new ATOM 0 HB3 SER A 40 21.212 4.000 2.072 1.00 1.13 H new ATOM 0 HG SER A 40 22.618 5.326 3.355 1.00 1.71 H new ATOM 558 N THR A 41 19.196 5.110 0.345 1.00 0.81 N ATOM 559 CA THR A 41 19.212 5.798 -0.941 1.00 0.85 C ATOM 560 C THR A 41 17.924 6.579 -1.205 1.00 0.79 C ATOM 561 O THR A 41 17.962 7.784 -1.459 1.00 0.95 O ATOM 562 CB THR A 41 19.457 4.796 -2.085 1.00 0.92 C ATOM 563 OG1 THR A 41 18.608 3.649 -1.919 1.00 1.25 O ATOM 564 CG2 THR A 41 20.911 4.355 -2.112 1.00 1.38 C ATOM 0 H THR A 41 19.150 4.093 0.277 1.00 0.81 H new ATOM 0 HA THR A 41 20.029 6.518 -0.901 1.00 0.85 H new ATOM 0 HB THR A 41 19.225 5.288 -3.029 1.00 0.92 H new ATOM 0 HG1 THR A 41 19.151 2.873 -1.667 1.00 1.25 H new ATOM 0 HG21 THR A 41 21.062 3.648 -2.928 1.00 1.38 H new ATOM 0 HG22 THR A 41 21.552 5.224 -2.262 1.00 1.38 H new ATOM 0 HG23 THR A 41 21.164 3.877 -1.166 1.00 1.38 H new ATOM 572 N ILE A 42 16.788 5.895 -1.127 1.00 0.67 N ATOM 573 CA ILE A 42 15.500 6.498 -1.464 1.00 0.67 C ATOM 574 C ILE A 42 15.157 7.649 -0.522 1.00 0.64 C ATOM 575 O ILE A 42 14.632 8.684 -0.945 1.00 0.68 O ATOM 576 CB ILE A 42 14.365 5.449 -1.414 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.669 4.281 -2.360 1.00 0.82 C ATOM 578 CG2 ILE A 42 13.025 6.086 -1.765 1.00 0.78 C ATOM 579 CD1 ILE A 42 14.764 4.677 -3.816 1.00 0.87 C ATOM 0 H ILE A 42 16.731 4.920 -0.833 1.00 0.67 H new ATOM 0 HA ILE A 42 15.589 6.886 -2.479 1.00 0.67 H new ATOM 0 HB ILE A 42 14.303 5.062 -0.397 1.00 0.73 H new ATOM 0 HG12 ILE A 42 15.608 3.818 -2.058 1.00 0.82 H new ATOM 0 HG13 ILE A 42 13.891 3.526 -2.250 1.00 0.82 H new ATOM 0 HG21 ILE A 42 12.241 5.330 -1.724 1.00 0.78 H new ATOM 0 HG22 ILE A 42 12.802 6.880 -1.052 1.00 0.78 H new ATOM 0 HG23 ILE A 42 13.073 6.504 -2.770 1.00 0.78 H new ATOM 0 HD11 ILE A 42 14.981 3.796 -4.419 1.00 0.87 H new ATOM 0 HD12 ILE A 42 13.818 5.112 -4.137 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.562 5.409 -3.943 1.00 0.87 H new ATOM 591 N LEU A 43 15.476 7.465 0.750 1.00 0.64 N ATOM 592 CA LEU A 43 15.108 8.417 1.789 1.00 0.70 C ATOM 593 C LEU A 43 15.806 9.765 1.605 1.00 0.75 C ATOM 594 O LEU A 43 15.150 10.782 1.389 1.00 0.75 O ATOM 595 CB LEU A 43 15.446 7.838 3.160 1.00 0.85 C ATOM 596 CG LEU A 43 15.081 8.715 4.357 1.00 1.07 C ATOM 597 CD1 LEU A 43 13.576 8.745 4.560 1.00 1.20 C ATOM 598 CD2 LEU A 43 15.782 8.218 5.610 1.00 1.43 C ATOM 0 H LEU A 43 15.995 6.656 1.091 1.00 0.64 H new ATOM 0 HA LEU A 43 14.035 8.592 1.714 1.00 0.70 H new ATOM 0 HB2 LEU A 43 14.936 6.880 3.266 1.00 0.85 H new ATOM 0 HB3 LEU A 43 16.516 7.635 3.195 1.00 0.85 H new ATOM 0 HG LEU A 43 15.416 9.732 4.155 1.00 1.07 H new ATOM 0 HD11 LEU A 43 13.337 9.375 5.417 1.00 1.20 H new ATOM 0 HD12 LEU A 43 13.097 9.149 3.668 1.00 1.20 H new ATOM 0 HD13 LEU A 43 13.213 7.733 4.741 1.00 1.20 H new ATOM 0 HD21 LEU A 43 15.512 8.853 6.454 1.00 1.43 H new ATOM 0 HD22 LEU A 43 15.476 7.192 5.815 1.00 1.43 H new ATOM 0 HD23 LEU A 43 16.861 8.252 5.461 1.00 1.43 H new ATOM 610 N LEU A 44 17.136 9.768 1.671 1.00 0.85 N ATOM 611 CA LEU A 44 17.892 11.018 1.652 1.00 0.98 C ATOM 612 C LEU A 44 17.843 11.703 0.288 1.00 0.92 C ATOM 613 O LEU A 44 18.209 12.873 0.165 1.00 1.03 O ATOM 614 CB LEU A 44 19.348 10.792 2.097 1.00 1.19 C ATOM 615 CG LEU A 44 20.158 9.741 1.317 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.634 10.280 -0.024 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.340 9.268 2.148 1.00 1.66 C ATOM 0 H LEU A 44 17.708 8.926 1.738 1.00 0.85 H new ATOM 0 HA LEU A 44 17.413 11.687 2.366 1.00 0.98 H new ATOM 0 HB2 LEU A 44 19.875 11.744 2.031 1.00 1.19 H new ATOM 0 HB3 LEU A 44 19.341 10.504 3.148 1.00 1.19 H new ATOM 0 HG LEU A 44 19.501 8.895 1.116 1.00 1.33 H new ATOM 0 HD11 LEU A 44 21.202 9.509 -0.545 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.773 10.566 -0.627 1.00 1.54 H new ATOM 0 HD13 LEU A 44 21.269 11.151 0.139 1.00 1.54 H new ATOM 0 HD21 LEU A 44 21.906 8.525 1.586 1.00 1.66 H new ATOM 0 HD22 LEU A 44 21.985 10.116 2.379 1.00 1.66 H new ATOM 0 HD23 LEU A 44 20.978 8.824 3.075 1.00 1.66 H new ATOM 629 N ASN A 45 17.390 10.977 -0.726 1.00 0.84 N ATOM 630 CA ASN A 45 17.294 11.522 -2.075 1.00 0.91 C ATOM 631 C ASN A 45 16.334 12.702 -2.120 1.00 0.88 C ATOM 632 O ASN A 45 16.737 13.842 -2.353 1.00 1.02 O ATOM 633 CB ASN A 45 16.805 10.457 -3.057 1.00 1.01 C ATOM 634 CG ASN A 45 16.693 10.993 -4.476 1.00 1.17 C ATOM 635 OD1 ASN A 45 17.479 11.840 -4.902 1.00 1.88 O ATOM 636 ND2 ASN A 45 15.696 10.526 -5.209 1.00 1.32 N ATOM 0 H ASN A 45 17.083 10.008 -0.640 1.00 0.84 H new ATOM 0 HA ASN A 45 18.292 11.855 -2.361 1.00 0.91 H new ATOM 0 HB2 ASN A 45 17.491 9.610 -3.043 1.00 1.01 H new ATOM 0 HB3 ASN A 45 15.833 10.085 -2.733 1.00 1.01 H new ATOM 0 HD21 ASN A 45 15.559 10.867 -6.160 1.00 1.32 H new ATOM 0 HD22 ASN A 45 15.064 9.824 -4.823 1.00 1.32 H new ATOM 643 N THR A 46 15.065 12.421 -1.873 1.00 0.79 N ATOM 644 CA THR A 46 14.026 13.418 -2.038 1.00 0.85 C ATOM 645 C THR A 46 13.791 14.187 -0.746 1.00 0.79 C ATOM 646 O THR A 46 13.076 13.719 0.139 1.00 0.68 O ATOM 647 CB THR A 46 12.709 12.761 -2.496 1.00 0.93 C ATOM 648 OG1 THR A 46 12.944 11.962 -3.666 1.00 1.15 O ATOM 649 CG2 THR A 46 11.650 13.809 -2.803 1.00 1.12 C ATOM 0 H THR A 46 14.732 11.510 -1.558 1.00 0.79 H new ATOM 0 HA THR A 46 14.362 14.118 -2.803 1.00 0.85 H new ATOM 0 HB THR A 46 12.346 12.131 -1.684 1.00 0.93 H new ATOM 0 HG1 THR A 46 12.104 11.545 -3.952 1.00 1.15 H new ATOM 0 HG21 THR A 46 10.732 13.316 -3.124 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.452 14.399 -1.908 1.00 1.12 H new ATOM 0 HG23 THR A 46 12.006 14.464 -3.598 1.00 1.12 H new ATOM 657 N SER A 47 14.427 15.353 -0.643 1.00 0.97 N ATOM 658 CA SER A 47 14.208 16.279 0.468 1.00 1.13 C ATOM 659 C SER A 47 14.417 15.619 1.837 1.00 1.06 C ATOM 660 O SER A 47 13.850 16.072 2.834 1.00 1.32 O ATOM 661 CB SER A 47 12.792 16.841 0.363 1.00 1.29 C ATOM 662 OG SER A 47 12.587 17.454 -0.901 1.00 1.87 O ATOM 0 H SER A 47 15.108 15.683 -1.327 1.00 0.97 H new ATOM 0 HA SER A 47 14.945 17.078 0.394 1.00 1.13 H new ATOM 0 HB2 SER A 47 12.066 16.040 0.506 1.00 1.29 H new ATOM 0 HB3 SER A 47 12.625 17.569 1.157 1.00 1.29 H new ATOM 0 HG SER A 47 11.674 17.806 -0.949 1.00 1.87 H new ATOM 668 N ALA A 48 15.229 14.553 1.871 1.00 0.92 N ATOM 669 CA ALA A 48 15.506 13.785 3.096 1.00 0.97 C ATOM 670 C ALA A 48 14.282 12.988 3.565 1.00 0.88 C ATOM 671 O ALA A 48 14.418 11.958 4.227 1.00 1.00 O ATOM 672 CB ALA A 48 16.021 14.687 4.210 1.00 1.22 C ATOM 0 H ALA A 48 15.714 14.197 1.048 1.00 0.92 H new ATOM 0 HA ALA A 48 16.288 13.067 2.848 1.00 0.97 H new ATOM 0 HB1 ALA A 48 16.216 14.090 5.101 1.00 1.22 H new ATOM 0 HB2 ALA A 48 16.943 15.172 3.889 1.00 1.22 H new ATOM 0 HB3 ALA A 48 15.273 15.446 4.439 1.00 1.22 H new ATOM 678 N ILE A 49 13.097 13.479 3.231 1.00 0.78 N ATOM 679 CA ILE A 49 11.851 12.792 3.526 1.00 0.75 C ATOM 680 C ILE A 49 11.005 12.732 2.260 1.00 0.62 C ATOM 681 O ILE A 49 10.476 13.756 1.815 1.00 0.65 O ATOM 682 CB ILE A 49 11.041 13.512 4.628 1.00 0.86 C ATOM 683 CG1 ILE A 49 11.906 13.752 5.871 1.00 1.17 C ATOM 684 CG2 ILE A 49 9.804 12.697 4.990 1.00 0.95 C ATOM 685 CD1 ILE A 49 11.221 14.573 6.943 1.00 1.93 C ATOM 0 H ILE A 49 12.974 14.368 2.746 1.00 0.78 H new ATOM 0 HA ILE A 49 12.098 11.792 3.883 1.00 0.75 H new ATOM 0 HB ILE A 49 10.723 14.481 4.243 1.00 0.86 H new ATOM 0 HG12 ILE A 49 12.195 12.789 6.293 1.00 1.17 H new ATOM 0 HG13 ILE A 49 12.824 14.257 5.571 1.00 1.17 H new ATOM 0 HG21 ILE A 49 9.242 13.215 5.767 1.00 0.95 H new ATOM 0 HG22 ILE A 49 9.176 12.577 4.107 1.00 0.95 H new ATOM 0 HG23 ILE A 49 10.109 11.716 5.355 1.00 0.95 H new ATOM 0 HD11 ILE A 49 11.895 14.700 7.790 1.00 1.93 H new ATOM 0 HD12 ILE A 49 10.957 15.550 6.539 1.00 1.93 H new ATOM 0 HD13 ILE A 49 10.317 14.060 7.272 1.00 1.93 H new ATOM 697 N PRO A 50 10.897 11.544 1.649 1.00 0.57 N ATOM 698 CA PRO A 50 10.145 11.351 0.403 1.00 0.52 C ATOM 699 C PRO A 50 8.684 11.777 0.532 1.00 0.53 C ATOM 700 O PRO A 50 7.888 11.133 1.214 1.00 0.53 O ATOM 701 CB PRO A 50 10.261 9.844 0.143 1.00 0.54 C ATOM 702 CG PRO A 50 11.468 9.421 0.906 1.00 0.66 C ATOM 703 CD PRO A 50 11.504 10.293 2.123 1.00 0.68 C ATOM 0 HA PRO A 50 10.538 11.961 -0.411 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.371 9.314 0.483 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.371 9.633 -0.921 1.00 0.54 H new ATOM 0 HG2 PRO A 50 11.408 8.368 1.181 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.372 9.544 0.309 1.00 0.66 H new ATOM 0 HD2 PRO A 50 10.940 9.858 2.948 1.00 0.68 H new ATOM 0 HD3 PRO A 50 12.523 10.448 2.479 1.00 0.68 H new ATOM 711 N ASP A 51 8.347 12.873 -0.133 1.00 0.59 N ATOM 712 CA ASP A 51 7.009 13.458 -0.055 1.00 0.63 C ATOM 713 C ASP A 51 6.029 12.688 -0.934 1.00 0.52 C ATOM 714 O ASP A 51 4.814 12.871 -0.850 1.00 0.54 O ATOM 715 CB ASP A 51 7.064 14.928 -0.479 1.00 0.84 C ATOM 716 CG ASP A 51 5.759 15.660 -0.244 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.403 15.882 0.931 1.00 1.86 O ATOM 718 OD2 ASP A 51 5.098 16.040 -1.229 1.00 2.04 O ATOM 0 H ASP A 51 8.988 13.383 -0.741 1.00 0.59 H new ATOM 0 HA ASP A 51 6.659 13.395 0.975 1.00 0.63 H new ATOM 0 HB2 ASP A 51 7.860 15.430 0.071 1.00 0.84 H new ATOM 0 HB3 ASP A 51 7.322 14.986 -1.536 1.00 0.84 H new ATOM 723 N ASN A 52 6.571 11.797 -1.754 1.00 0.47 N ATOM 724 CA ASN A 52 5.791 11.063 -2.751 1.00 0.49 C ATOM 725 C ASN A 52 4.902 10.003 -2.111 1.00 0.43 C ATOM 726 O ASN A 52 4.145 9.322 -2.801 1.00 0.56 O ATOM 727 CB ASN A 52 6.723 10.410 -3.776 1.00 0.59 C ATOM 728 CG ASN A 52 7.782 9.534 -3.129 1.00 1.32 C ATOM 729 OD1 ASN A 52 8.847 10.014 -2.746 1.00 2.22 O ATOM 730 ND2 ASN A 52 7.502 8.247 -3.012 1.00 1.84 N ATOM 0 H ASN A 52 7.563 11.560 -1.749 1.00 0.47 H new ATOM 0 HA ASN A 52 5.143 11.782 -3.252 1.00 0.49 H new ATOM 0 HB2 ASN A 52 6.132 9.809 -4.467 1.00 0.59 H new ATOM 0 HB3 ASN A 52 7.210 11.187 -4.365 1.00 0.59 H new ATOM 0 HD21 ASN A 52 8.182 7.613 -2.591 1.00 1.84 H new ATOM 0 HD22 ASN A 52 6.606 7.888 -3.342 1.00 1.84 H new ATOM 737 N TYR A 53 4.980 9.888 -0.790 1.00 0.39 N ATOM 738 CA TYR A 53 4.163 8.938 -0.032 1.00 0.52 C ATOM 739 C TYR A 53 2.698 9.356 -0.035 1.00 0.56 C ATOM 740 O TYR A 53 1.844 8.703 0.566 1.00 0.83 O ATOM 741 CB TYR A 53 4.680 8.843 1.403 1.00 0.66 C ATOM 742 CG TYR A 53 6.093 8.318 1.508 1.00 0.63 C ATOM 743 CD1 TYR A 53 6.640 7.523 0.510 1.00 0.67 C ATOM 744 CD2 TYR A 53 6.874 8.605 2.618 1.00 0.67 C ATOM 745 CE1 TYR A 53 7.924 7.035 0.611 1.00 0.73 C ATOM 746 CE2 TYR A 53 8.163 8.120 2.727 1.00 0.67 C ATOM 747 CZ TYR A 53 8.678 7.333 1.721 1.00 0.70 C ATOM 748 OH TYR A 53 9.959 6.848 1.818 1.00 0.79 O ATOM 0 H TYR A 53 5.608 10.447 -0.213 1.00 0.39 H new ATOM 0 HA TYR A 53 4.237 7.960 -0.508 1.00 0.52 H new ATOM 0 HB2 TYR A 53 4.634 9.831 1.862 1.00 0.66 H new ATOM 0 HB3 TYR A 53 4.018 8.194 1.976 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.048 7.283 -0.361 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.468 9.217 3.410 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.336 6.422 -0.177 1.00 0.73 H new ATOM 0 HE2 TYR A 53 8.762 8.356 3.594 1.00 0.67 H new ATOM 0 HH TYR A 53 10.408 7.261 2.585 1.00 0.79 H new ATOM 758 N LYS A 54 2.416 10.436 -0.734 1.00 0.46 N ATOM 759 CA LYS A 54 1.069 10.933 -0.880 1.00 0.49 C ATOM 760 C LYS A 54 0.966 11.796 -2.135 1.00 0.52 C ATOM 761 O LYS A 54 1.665 12.801 -2.262 1.00 0.72 O ATOM 762 CB LYS A 54 0.684 11.756 0.348 1.00 0.61 C ATOM 763 CG LYS A 54 1.739 12.780 0.728 1.00 0.85 C ATOM 764 CD LYS A 54 1.228 13.777 1.744 1.00 1.15 C ATOM 765 CE LYS A 54 2.312 14.787 2.093 1.00 1.15 C ATOM 766 NZ LYS A 54 2.811 15.503 0.887 1.00 1.75 N ATOM 0 H LYS A 54 3.120 10.994 -1.218 1.00 0.46 H new ATOM 0 HA LYS A 54 0.386 10.088 -0.972 1.00 0.49 H new ATOM 0 HB2 LYS A 54 -0.259 12.268 0.155 1.00 0.61 H new ATOM 0 HB3 LYS A 54 0.516 11.085 1.191 1.00 0.61 H new ATOM 0 HG2 LYS A 54 2.612 12.267 1.132 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.067 13.310 -0.166 1.00 0.85 H new ATOM 0 HD2 LYS A 54 0.355 14.295 1.347 1.00 1.15 H new ATOM 0 HD3 LYS A 54 0.906 13.254 2.645 1.00 1.15 H new ATOM 0 HE2 LYS A 54 1.919 15.510 2.808 1.00 1.15 H new ATOM 0 HE3 LYS A 54 3.142 14.275 2.581 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 3.647 16.067 1.140 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 3.069 14.811 0.154 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 2.066 16.131 0.523 1.00 1.75 H new ATOM 780 N ASP A 55 0.125 11.396 -3.071 1.00 0.48 N ATOM 781 CA ASP A 55 -0.129 12.223 -4.242 1.00 0.51 C ATOM 782 C ASP A 55 -1.090 13.338 -3.874 1.00 0.60 C ATOM 783 O ASP A 55 -2.005 13.140 -3.073 1.00 0.72 O ATOM 784 CB ASP A 55 -0.691 11.400 -5.402 1.00 0.49 C ATOM 785 CG ASP A 55 -1.115 12.266 -6.569 1.00 0.90 C ATOM 786 OD1 ASP A 55 -0.260 12.958 -7.156 1.00 1.35 O ATOM 787 OD2 ASP A 55 -2.311 12.265 -6.895 1.00 1.29 O ATOM 0 H ASP A 55 -0.389 10.515 -3.047 1.00 0.48 H new ATOM 0 HA ASP A 55 0.818 12.649 -4.573 1.00 0.51 H new ATOM 0 HB2 ASP A 55 0.062 10.687 -5.737 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -1.546 10.821 -5.053 1.00 0.49 H new ATOM 792 N THR A 56 -0.880 14.508 -4.438 1.00 0.67 N ATOM 793 CA THR A 56 -1.693 15.657 -4.102 1.00 0.78 C ATOM 794 C THR A 56 -2.672 15.963 -5.227 1.00 0.75 C ATOM 795 O THR A 56 -3.418 16.943 -5.171 1.00 0.78 O ATOM 796 CB THR A 56 -0.816 16.896 -3.804 1.00 0.98 C ATOM 797 OG1 THR A 56 -1.625 17.983 -3.326 1.00 1.50 O ATOM 798 CG2 THR A 56 -0.052 17.336 -5.046 1.00 1.52 C ATOM 0 H THR A 56 -0.154 14.689 -5.131 1.00 0.67 H new ATOM 0 HA THR A 56 -2.256 15.416 -3.200 1.00 0.78 H new ATOM 0 HB THR A 56 -0.098 16.617 -3.033 1.00 0.98 H new ATOM 0 HG1 THR A 56 -2.466 18.010 -3.828 1.00 1.50 H new ATOM 0 HG21 THR A 56 0.556 18.209 -4.809 1.00 1.52 H new ATOM 0 HG22 THR A 56 0.593 16.525 -5.383 1.00 1.52 H new ATOM 0 HG23 THR A 56 -0.758 17.590 -5.837 1.00 1.52 H new ATOM 806 N THR A 57 -2.675 15.112 -6.244 1.00 0.76 N ATOM 807 CA THR A 57 -3.559 15.301 -7.377 1.00 0.79 C ATOM 808 C THR A 57 -4.868 14.543 -7.159 1.00 0.74 C ATOM 809 O THR A 57 -5.936 15.159 -7.146 1.00 1.04 O ATOM 810 CB THR A 57 -2.888 14.796 -8.668 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.501 15.165 -8.671 1.00 1.00 O ATOM 812 CG2 THR A 57 -3.576 15.368 -9.898 1.00 1.05 C ATOM 0 H THR A 57 -2.076 14.288 -6.304 1.00 0.76 H new ATOM 0 HA THR A 57 -3.770 16.366 -7.473 1.00 0.79 H new ATOM 0 HB THR A 57 -2.977 13.710 -8.699 1.00 0.89 H new ATOM 0 HG1 THR A 57 -0.984 14.499 -8.171 1.00 1.00 H new ATOM 0 HG21 THR A 57 -3.083 14.996 -10.796 1.00 1.05 H new ATOM 0 HG22 THR A 57 -4.622 15.062 -9.905 1.00 1.05 H new ATOM 0 HG23 THR A 57 -3.516 16.456 -9.875 1.00 1.05 H new ATOM 820 N ASN A 58 -4.747 13.222 -6.933 1.00 0.65 N ATOM 821 CA ASN A 58 -5.884 12.331 -6.623 1.00 0.70 C ATOM 822 C ASN A 58 -5.566 10.867 -6.944 1.00 0.59 C ATOM 823 O ASN A 58 -6.481 10.042 -7.029 1.00 0.66 O ATOM 824 CB ASN A 58 -7.173 12.720 -7.378 1.00 0.95 C ATOM 825 CG ASN A 58 -7.093 12.552 -8.886 1.00 1.91 C ATOM 826 OD1 ASN A 58 -6.027 12.657 -9.493 1.00 2.73 O ATOM 827 ND2 ASN A 58 -8.238 12.308 -9.505 1.00 2.46 N ATOM 0 H ASN A 58 -3.850 12.737 -6.960 1.00 0.65 H new ATOM 0 HA ASN A 58 -6.051 12.449 -5.552 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -7.997 12.115 -7.001 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -7.412 13.759 -7.153 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -8.257 12.200 -10.519 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -9.101 12.228 -8.968 1.00 2.46 H new ATOM 834 N LYS A 59 -4.285 10.525 -7.111 1.00 0.52 N ATOM 835 CA LYS A 59 -3.932 9.172 -7.542 1.00 0.51 C ATOM 836 C LYS A 59 -2.522 8.723 -7.121 1.00 0.45 C ATOM 837 O LYS A 59 -1.552 8.910 -7.855 1.00 0.48 O ATOM 838 CB LYS A 59 -4.108 9.027 -9.066 1.00 0.58 C ATOM 839 CG LYS A 59 -4.026 10.330 -9.857 1.00 0.83 C ATOM 840 CD LYS A 59 -2.613 10.890 -9.965 1.00 0.64 C ATOM 841 CE LYS A 59 -1.723 10.020 -10.839 1.00 1.53 C ATOM 842 NZ LYS A 59 -0.456 10.709 -11.201 1.00 2.11 N ATOM 0 H LYS A 59 -3.493 11.150 -6.958 1.00 0.52 H new ATOM 0 HA LYS A 59 -4.623 8.508 -7.023 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -3.345 8.345 -9.440 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -5.074 8.562 -9.261 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -4.419 10.162 -10.860 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -4.667 11.074 -9.384 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.653 11.898 -10.377 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -2.177 10.970 -8.969 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -1.494 9.092 -10.314 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -2.261 9.748 -11.747 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 0.165 10.048 -11.710 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -0.667 11.525 -11.810 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 0.021 11.036 -10.336 1.00 2.11 H new ATOM 856 N LYS A 60 -2.418 8.124 -5.934 1.00 0.41 N ATOM 857 CA LYS A 60 -1.203 7.402 -5.538 1.00 0.38 C ATOM 858 C LYS A 60 -1.560 6.222 -4.644 1.00 0.38 C ATOM 859 O LYS A 60 -2.192 6.388 -3.600 1.00 0.41 O ATOM 860 CB LYS A 60 -0.202 8.316 -4.808 1.00 0.41 C ATOM 861 CG LYS A 60 1.202 7.718 -4.611 1.00 0.45 C ATOM 862 CD LYS A 60 1.271 6.709 -3.471 1.00 1.22 C ATOM 863 CE LYS A 60 1.014 7.366 -2.128 1.00 2.18 C ATOM 864 NZ LYS A 60 1.363 6.473 -0.990 1.00 3.14 N ATOM 0 H LYS A 60 -3.157 8.123 -5.230 1.00 0.41 H new ATOM 0 HA LYS A 60 -0.728 7.044 -6.451 1.00 0.38 H new ATOM 0 HB2 LYS A 60 -0.109 9.247 -5.367 1.00 0.41 H new ATOM 0 HB3 LYS A 60 -0.612 8.571 -3.831 1.00 0.41 H new ATOM 0 HG2 LYS A 60 1.516 7.234 -5.536 1.00 0.45 H new ATOM 0 HG3 LYS A 60 1.909 8.524 -4.417 1.00 0.45 H new ATOM 0 HD2 LYS A 60 0.537 5.920 -3.637 1.00 1.22 H new ATOM 0 HD3 LYS A 60 2.252 6.235 -3.463 1.00 1.22 H new ATOM 0 HE2 LYS A 60 1.595 8.285 -2.058 1.00 2.18 H new ATOM 0 HE3 LYS A 60 -0.037 7.647 -2.058 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 1.791 7.035 -0.227 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 0.502 6.008 -0.637 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 2.040 5.751 -1.310 1.00 3.14 H new ATOM 878 N ILE A 61 -1.133 5.040 -5.057 1.00 0.37 N ATOM 879 CA ILE A 61 -1.267 3.837 -4.252 1.00 0.38 C ATOM 880 C ILE A 61 0.072 3.134 -4.157 1.00 0.38 C ATOM 881 O ILE A 61 0.756 2.934 -5.156 1.00 0.45 O ATOM 882 CB ILE A 61 -2.327 2.863 -4.811 1.00 0.45 C ATOM 883 CG1 ILE A 61 -2.186 2.705 -6.327 1.00 0.49 C ATOM 884 CG2 ILE A 61 -3.723 3.330 -4.439 1.00 0.47 C ATOM 885 CD1 ILE A 61 -3.184 1.737 -6.928 1.00 0.55 C ATOM 0 H ILE A 61 -0.684 4.887 -5.960 1.00 0.37 H new ATOM 0 HA ILE A 61 -1.603 4.147 -3.262 1.00 0.38 H new ATOM 0 HB ILE A 61 -2.162 1.884 -4.361 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -2.308 3.680 -6.799 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -1.177 2.363 -6.557 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -4.459 2.633 -4.840 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.816 3.371 -3.354 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -3.898 4.322 -4.856 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -3.027 1.674 -8.005 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -3.048 0.751 -6.483 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -4.197 2.088 -6.729 1.00 0.55 H new ATOM 897 N THR A 62 0.463 2.796 -2.950 1.00 0.39 N ATOM 898 CA THR A 62 1.725 2.124 -2.737 1.00 0.45 C ATOM 899 C THR A 62 1.522 0.620 -2.723 1.00 0.50 C ATOM 900 O THR A 62 0.927 0.086 -1.792 1.00 0.62 O ATOM 901 CB THR A 62 2.382 2.584 -1.430 1.00 0.56 C ATOM 902 OG1 THR A 62 2.551 4.004 -1.453 1.00 0.84 O ATOM 903 CG2 THR A 62 3.722 1.914 -1.236 1.00 0.84 C ATOM 0 H THR A 62 -0.074 2.975 -2.101 1.00 0.39 H new ATOM 0 HA THR A 62 2.391 2.384 -3.560 1.00 0.45 H new ATOM 0 HB THR A 62 1.734 2.304 -0.599 1.00 0.56 H new ATOM 0 HG1 THR A 62 2.330 4.345 -2.345 1.00 0.84 H new ATOM 0 HG21 THR A 62 4.168 2.256 -0.302 1.00 0.84 H new ATOM 0 HG22 THR A 62 3.586 0.833 -1.198 1.00 0.84 H new ATOM 0 HG23 THR A 62 4.380 2.168 -2.067 1.00 0.84 H new ATOM 911 N ASN A 63 2.024 -0.030 -3.769 1.00 0.52 N ATOM 912 CA ASN A 63 1.819 -1.462 -4.015 1.00 0.61 C ATOM 913 C ASN A 63 2.164 -1.816 -5.463 1.00 0.76 C ATOM 914 O ASN A 63 2.986 -2.697 -5.703 1.00 1.31 O ATOM 915 CB ASN A 63 0.365 -1.883 -3.733 1.00 1.03 C ATOM 916 CG ASN A 63 0.015 -3.250 -4.301 1.00 1.80 C ATOM 917 OD1 ASN A 63 0.206 -4.291 -3.510 1.00 2.50 O flip ATOM 918 ND2 ASN A 63 -0.440 -3.366 -5.439 1.00 2.26 N flip ATOM 0 H ASN A 63 2.593 0.426 -4.482 1.00 0.52 H new ATOM 0 HA ASN A 63 2.480 -2.000 -3.335 1.00 0.61 H new ATOM 0 HB2 ASN A 63 0.199 -1.891 -2.656 1.00 1.03 H new ATOM 0 HB3 ASN A 63 -0.310 -1.138 -4.154 1.00 1.03 H new ATOM 0 HD21 ASN A 63 -0.574 -2.539 -6.021 1.00 2.26 H new ATOM 0 HD22 ASN A 63 -0.683 -4.289 -5.799 1.00 2.26 H new ATOM 925 N PRO A 64 1.540 -1.131 -6.450 1.00 0.64 N ATOM 926 CA PRO A 64 1.646 -1.509 -7.861 1.00 0.97 C ATOM 927 C PRO A 64 3.037 -1.329 -8.447 1.00 1.15 C ATOM 928 O PRO A 64 3.835 -0.514 -7.982 1.00 1.75 O ATOM 929 CB PRO A 64 0.668 -0.567 -8.580 1.00 0.91 C ATOM 930 CG PRO A 64 -0.178 0.013 -7.510 1.00 0.85 C ATOM 931 CD PRO A 64 0.690 0.060 -6.288 1.00 0.60 C ATOM 0 HA PRO A 64 1.425 -2.570 -7.979 1.00 0.97 H new ATOM 0 HB2 PRO A 64 1.201 0.212 -9.125 1.00 0.91 H new ATOM 0 HB3 PRO A 64 0.064 -1.109 -9.308 1.00 0.91 H new ATOM 0 HG2 PRO A 64 -0.525 1.010 -7.782 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -1.064 -0.597 -7.338 1.00 0.85 H new ATOM 0 HD2 PRO A 64 1.280 0.976 -6.245 1.00 0.60 H new ATOM 0 HD3 PRO A 64 0.102 0.016 -5.371 1.00 0.60 H new ATOM 939 N PHE A 65 3.295 -2.099 -9.487 1.00 1.16 N ATOM 940 CA PHE A 65 4.492 -1.955 -10.295 1.00 1.47 C ATOM 941 C PHE A 65 4.081 -1.758 -11.749 1.00 1.30 C ATOM 942 O PHE A 65 4.875 -1.928 -12.671 1.00 1.80 O ATOM 943 CB PHE A 65 5.409 -3.179 -10.137 1.00 2.09 C ATOM 944 CG PHE A 65 4.676 -4.491 -10.044 1.00 2.12 C ATOM 945 CD1 PHE A 65 4.299 -5.165 -11.196 1.00 2.65 C ATOM 946 CD2 PHE A 65 4.364 -5.049 -8.815 1.00 2.10 C ATOM 947 CE1 PHE A 65 3.628 -6.372 -11.122 1.00 3.23 C ATOM 948 CE2 PHE A 65 3.694 -6.254 -8.735 1.00 2.47 C ATOM 949 CZ PHE A 65 3.322 -6.913 -9.858 1.00 3.09 C ATOM 0 H PHE A 65 2.676 -2.848 -9.797 1.00 1.16 H new ATOM 0 HA PHE A 65 5.057 -1.085 -9.960 1.00 1.47 H new ATOM 0 HB2 PHE A 65 6.094 -3.218 -10.984 1.00 2.09 H new ATOM 0 HB3 PHE A 65 6.017 -3.051 -9.241 1.00 2.09 H new ATOM 0 HD1 PHE A 65 4.532 -4.742 -12.162 1.00 2.65 H new ATOM 0 HD2 PHE A 65 4.648 -4.535 -7.908 1.00 2.10 H new ATOM 0 HE1 PHE A 65 3.342 -6.894 -12.023 1.00 3.23 H new ATOM 0 HE2 PHE A 65 3.464 -6.675 -7.767 1.00 2.47 H new ATOM 0 HZ PHE A 65 2.792 -7.851 -9.785 1.00 3.09 H new ATOM 959 N GLY A 66 2.827 -1.351 -11.926 1.00 0.85 N ATOM 960 CA GLY A 66 2.247 -1.231 -13.249 1.00 0.86 C ATOM 961 C GLY A 66 2.102 0.210 -13.703 1.00 0.86 C ATOM 962 O GLY A 66 1.218 0.533 -14.492 1.00 1.21 O ATOM 0 H GLY A 66 2.197 -1.100 -11.165 1.00 0.85 H new ATOM 0 HA2 GLY A 66 2.869 -1.771 -13.963 1.00 0.86 H new ATOM 0 HA3 GLY A 66 1.267 -1.709 -13.255 1.00 0.86 H new ATOM 966 N GLY A 67 2.956 1.081 -13.187 1.00 0.70 N ATOM 967 CA GLY A 67 2.890 2.489 -13.519 1.00 0.70 C ATOM 968 C GLY A 67 4.164 3.184 -13.117 1.00 0.65 C ATOM 969 O GLY A 67 5.247 2.625 -13.286 1.00 0.67 O ATOM 0 H GLY A 67 3.702 0.834 -12.537 1.00 0.70 H new ATOM 0 HA2 GLY A 67 2.725 2.609 -14.590 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.042 2.949 -13.012 1.00 0.70 H new ATOM 973 N GLU A 68 4.049 4.377 -12.562 1.00 0.63 N ATOM 974 CA GLU A 68 5.211 5.074 -12.035 1.00 0.64 C ATOM 975 C GLU A 68 5.450 4.649 -10.595 1.00 0.58 C ATOM 976 O GLU A 68 4.789 5.137 -9.682 1.00 0.59 O ATOM 977 CB GLU A 68 4.986 6.581 -12.096 1.00 0.73 C ATOM 978 CG GLU A 68 4.885 7.130 -13.507 1.00 1.36 C ATOM 979 CD GLU A 68 6.132 6.871 -14.323 1.00 1.84 C ATOM 980 OE1 GLU A 68 7.053 7.713 -14.293 1.00 1.99 O ATOM 981 OE2 GLU A 68 6.192 5.830 -15.009 1.00 2.78 O ATOM 0 H GLU A 68 3.168 4.882 -12.464 1.00 0.63 H new ATOM 0 HA GLU A 68 6.084 4.821 -12.637 1.00 0.64 H new ATOM 0 HB2 GLU A 68 4.071 6.824 -11.555 1.00 0.73 H new ATOM 0 HB3 GLU A 68 5.804 7.082 -11.579 1.00 0.73 H new ATOM 0 HG2 GLU A 68 4.028 6.680 -14.008 1.00 1.36 H new ATOM 0 HG3 GLU A 68 4.701 8.203 -13.463 1.00 1.36 H new ATOM 988 N LEU A 69 6.394 3.744 -10.401 1.00 0.57 N ATOM 989 CA LEU A 69 6.657 3.169 -9.084 1.00 0.57 C ATOM 990 C LEU A 69 7.912 3.755 -8.429 1.00 0.55 C ATOM 991 O LEU A 69 8.890 4.087 -9.102 1.00 0.60 O ATOM 992 CB LEU A 69 6.765 1.640 -9.194 1.00 0.69 C ATOM 993 CG LEU A 69 7.883 1.109 -10.104 1.00 0.83 C ATOM 994 CD1 LEU A 69 9.188 0.934 -9.336 1.00 1.15 C ATOM 995 CD2 LEU A 69 7.467 -0.202 -10.747 1.00 1.17 C ATOM 0 H LEU A 69 6.997 3.387 -11.142 1.00 0.57 H new ATOM 0 HA LEU A 69 5.818 3.428 -8.439 1.00 0.57 H new ATOM 0 HB2 LEU A 69 6.913 1.233 -8.194 1.00 0.69 H new ATOM 0 HB3 LEU A 69 5.813 1.253 -9.558 1.00 0.69 H new ATOM 0 HG LEU A 69 8.053 1.847 -10.888 1.00 0.83 H new ATOM 0 HD11 LEU A 69 9.958 0.557 -10.009 1.00 1.15 H new ATOM 0 HD12 LEU A 69 9.501 1.895 -8.928 1.00 1.15 H new ATOM 0 HD13 LEU A 69 9.039 0.225 -8.522 1.00 1.15 H new ATOM 0 HD21 LEU A 69 8.271 -0.564 -11.388 1.00 1.17 H new ATOM 0 HD22 LEU A 69 7.262 -0.939 -9.971 1.00 1.17 H new ATOM 0 HD23 LEU A 69 6.569 -0.045 -11.344 1.00 1.17 H new ATOM 1007 N ASN A 70 7.853 3.911 -7.112 1.00 0.52 N ATOM 1008 CA ASN A 70 9.007 4.318 -6.314 1.00 0.53 C ATOM 1009 C ASN A 70 9.325 3.229 -5.293 1.00 0.49 C ATOM 1010 O ASN A 70 8.467 2.864 -4.496 1.00 0.51 O ATOM 1011 CB ASN A 70 8.716 5.644 -5.600 1.00 0.59 C ATOM 1012 CG ASN A 70 9.862 6.105 -4.713 1.00 0.65 C ATOM 1013 OD1 ASN A 70 10.825 6.699 -5.194 1.00 0.92 O ATOM 1014 ND2 ASN A 70 9.749 5.875 -3.410 1.00 0.73 N ATOM 0 H ASN A 70 7.005 3.759 -6.566 1.00 0.52 H new ATOM 0 HA ASN A 70 9.866 4.460 -6.969 1.00 0.53 H new ATOM 0 HB2 ASN A 70 8.508 6.413 -6.344 1.00 0.59 H new ATOM 0 HB3 ASN A 70 7.816 5.534 -4.994 1.00 0.59 H new ATOM 0 HD21 ASN A 70 10.477 6.195 -2.771 1.00 0.73 H new ATOM 0 HD22 ASN A 70 8.935 5.379 -3.049 1.00 0.73 H new ATOM 1021 N VAL A 71 10.544 2.708 -5.317 1.00 0.51 N ATOM 1022 CA VAL A 71 10.914 1.611 -4.422 1.00 0.52 C ATOM 1023 C VAL A 71 11.245 2.114 -3.018 1.00 0.49 C ATOM 1024 O VAL A 71 11.682 3.249 -2.843 1.00 0.58 O ATOM 1025 CB VAL A 71 12.109 0.799 -4.973 1.00 0.68 C ATOM 1026 CG1 VAL A 71 11.743 0.128 -6.288 1.00 0.97 C ATOM 1027 CG2 VAL A 71 13.333 1.681 -5.154 1.00 1.02 C ATOM 0 H VAL A 71 11.290 3.021 -5.939 1.00 0.51 H new ATOM 0 HA VAL A 71 10.044 0.957 -4.364 1.00 0.52 H new ATOM 0 HB VAL A 71 12.351 0.026 -4.243 1.00 0.68 H new ATOM 0 HG11 VAL A 71 12.598 -0.438 -6.658 1.00 0.97 H new ATOM 0 HG12 VAL A 71 10.902 -0.547 -6.130 1.00 0.97 H new ATOM 0 HG13 VAL A 71 11.467 0.887 -7.019 1.00 0.97 H new ATOM 0 HG21 VAL A 71 14.158 1.084 -5.543 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.103 2.483 -5.856 1.00 1.02 H new ATOM 0 HG23 VAL A 71 13.617 2.111 -4.193 1.00 1.02 H new ATOM 1037 N GLY A 72 11.011 1.266 -2.022 1.00 0.44 N ATOM 1038 CA GLY A 72 11.335 1.612 -0.653 1.00 0.46 C ATOM 1039 C GLY A 72 11.186 0.430 0.292 1.00 0.44 C ATOM 1040 O GLY A 72 10.391 -0.475 0.032 1.00 0.48 O ATOM 0 H GLY A 72 10.600 0.340 -2.141 1.00 0.44 H new ATOM 0 HA2 GLY A 72 12.358 1.984 -0.607 1.00 0.46 H new ATOM 0 HA3 GLY A 72 10.686 2.423 -0.322 1.00 0.46 H new ATOM 1044 N PRO A 73 11.962 0.400 1.386 1.00 0.53 N ATOM 1045 CA PRO A 73 11.899 -0.649 2.400 1.00 0.54 C ATOM 1046 C PRO A 73 11.039 -0.264 3.607 1.00 0.49 C ATOM 1047 O PRO A 73 10.877 0.914 3.914 1.00 0.59 O ATOM 1048 CB PRO A 73 13.356 -0.745 2.816 1.00 0.72 C ATOM 1049 CG PRO A 73 13.853 0.661 2.742 1.00 1.00 C ATOM 1050 CD PRO A 73 13.006 1.381 1.716 1.00 0.76 C ATOM 0 HA PRO A 73 11.451 -1.570 2.026 1.00 0.54 H new ATOM 0 HB2 PRO A 73 13.457 -1.150 3.823 1.00 0.72 H new ATOM 0 HB3 PRO A 73 13.917 -1.401 2.151 1.00 0.72 H new ATOM 0 HG2 PRO A 73 13.776 1.148 3.714 1.00 1.00 H new ATOM 0 HG3 PRO A 73 14.905 0.683 2.457 1.00 1.00 H new ATOM 0 HD2 PRO A 73 12.581 2.300 2.120 1.00 0.76 H new ATOM 0 HD3 PRO A 73 13.589 1.659 0.838 1.00 0.76 H new ATOM 1058 N ALA A 74 10.508 -1.259 4.302 1.00 0.51 N ATOM 1059 CA ALA A 74 9.687 -0.998 5.476 1.00 0.61 C ATOM 1060 C ALA A 74 10.249 -1.684 6.713 1.00 0.84 C ATOM 1061 O ALA A 74 9.772 -2.749 7.110 1.00 1.58 O ATOM 1062 CB ALA A 74 8.255 -1.436 5.233 1.00 0.86 C ATOM 0 H ALA A 74 10.629 -2.246 4.077 1.00 0.51 H new ATOM 0 HA ALA A 74 9.700 0.077 5.656 1.00 0.61 H new ATOM 0 HB1 ALA A 74 7.657 -1.233 6.121 1.00 0.86 H new ATOM 0 HB2 ALA A 74 7.845 -0.886 4.386 1.00 0.86 H new ATOM 0 HB3 ALA A 74 8.233 -2.504 5.017 1.00 0.86 H new ATOM 1068 N ASN A 75 11.272 -1.057 7.296 1.00 0.62 N ATOM 1069 CA ASN A 75 11.941 -1.540 8.513 1.00 0.74 C ATOM 1070 C ASN A 75 12.623 -2.899 8.319 1.00 0.76 C ATOM 1071 O ASN A 75 13.847 -2.989 8.342 1.00 0.85 O ATOM 1072 CB ASN A 75 10.965 -1.617 9.694 1.00 0.99 C ATOM 1073 CG ASN A 75 11.655 -2.045 10.979 1.00 1.38 C ATOM 1074 OD1 ASN A 75 12.836 -1.772 11.190 1.00 2.09 O ATOM 1075 ND2 ASN A 75 10.922 -2.721 11.851 1.00 1.58 N ATOM 0 H ASN A 75 11.667 -0.189 6.935 1.00 0.62 H new ATOM 0 HA ASN A 75 12.718 -0.809 8.735 1.00 0.74 H new ATOM 0 HB2 ASN A 75 10.497 -0.644 9.841 1.00 0.99 H new ATOM 0 HB3 ASN A 75 10.167 -2.322 9.459 1.00 0.99 H new ATOM 0 HD21 ASN A 75 11.334 -3.033 12.730 1.00 1.58 H new ATOM 0 HD22 ASN A 75 9.945 -2.930 11.643 1.00 1.58 H new ATOM 1082 N ASN A 76 11.833 -3.948 8.135 1.00 0.75 N ATOM 1083 CA ASN A 76 12.364 -5.302 8.075 1.00 0.82 C ATOM 1084 C ASN A 76 11.426 -6.213 7.279 1.00 0.77 C ATOM 1085 O ASN A 76 10.221 -5.961 7.209 1.00 0.81 O ATOM 1086 CB ASN A 76 12.564 -5.853 9.492 1.00 1.02 C ATOM 1087 CG ASN A 76 13.317 -7.167 9.501 1.00 1.32 C ATOM 1088 OD1 ASN A 76 14.120 -7.442 8.613 1.00 2.08 O ATOM 1089 ND2 ASN A 76 13.073 -7.985 10.510 1.00 1.38 N ATOM 0 H ASN A 76 10.821 -3.887 8.025 1.00 0.75 H new ATOM 0 HA ASN A 76 13.329 -5.274 7.568 1.00 0.82 H new ATOM 0 HB2 ASN A 76 13.108 -5.122 10.090 1.00 1.02 H new ATOM 0 HB3 ASN A 76 11.592 -5.991 9.965 1.00 1.02 H new ATOM 0 HD21 ASN A 76 13.559 -8.880 10.570 1.00 1.38 H new ATOM 0 HD22 ASN A 76 12.399 -7.721 11.229 1.00 1.38 H new ATOM 1096 N ASN A 77 11.989 -7.275 6.704 1.00 0.80 N ATOM 1097 CA ASN A 77 11.256 -8.171 5.801 1.00 0.86 C ATOM 1098 C ASN A 77 10.083 -8.868 6.494 1.00 0.95 C ATOM 1099 O ASN A 77 8.993 -8.971 5.928 1.00 1.05 O ATOM 1100 CB ASN A 77 12.205 -9.221 5.191 1.00 0.95 C ATOM 1101 CG ASN A 77 12.770 -10.199 6.213 1.00 1.40 C ATOM 1102 OD1 ASN A 77 12.196 -11.262 6.465 1.00 2.28 O ATOM 1103 ND2 ASN A 77 13.901 -9.849 6.807 1.00 1.72 N ATOM 0 H ASN A 77 12.963 -7.541 6.848 1.00 0.80 H new ATOM 0 HA ASN A 77 10.844 -7.549 5.007 1.00 0.86 H new ATOM 0 HB2 ASN A 77 11.670 -9.780 4.423 1.00 0.95 H new ATOM 0 HB3 ASN A 77 13.030 -8.709 4.696 1.00 0.95 H new ATOM 0 HD21 ASN A 77 14.326 -10.467 7.499 1.00 1.72 H new ATOM 0 HD22 ASN A 77 14.347 -8.962 6.573 1.00 1.72 H new ATOM 1110 N THR A 78 10.291 -9.331 7.720 1.00 1.02 N ATOM 1111 CA THR A 78 9.262 -10.089 8.417 1.00 1.22 C ATOM 1112 C THR A 78 8.127 -9.175 8.874 1.00 1.16 C ATOM 1113 O THR A 78 6.976 -9.599 8.964 1.00 1.41 O ATOM 1114 CB THR A 78 9.841 -10.877 9.619 1.00 1.44 C ATOM 1115 OG1 THR A 78 8.837 -11.719 10.200 1.00 1.95 O ATOM 1116 CG2 THR A 78 10.390 -9.940 10.686 1.00 1.88 C ATOM 0 H THR A 78 11.154 -9.197 8.247 1.00 1.02 H new ATOM 0 HA THR A 78 8.861 -10.814 7.709 1.00 1.22 H new ATOM 0 HB THR A 78 10.658 -11.491 9.241 1.00 1.44 H new ATOM 0 HG1 THR A 78 9.220 -12.210 10.957 1.00 1.95 H new ATOM 0 HG21 THR A 78 10.788 -10.526 11.515 1.00 1.88 H new ATOM 0 HG22 THR A 78 11.185 -9.328 10.259 1.00 1.88 H new ATOM 0 HG23 THR A 78 9.591 -9.294 11.049 1.00 1.88 H new ATOM 1124 N ALA A 79 8.444 -7.910 9.125 1.00 0.91 N ATOM 1125 CA ALA A 79 7.439 -6.950 9.552 1.00 0.86 C ATOM 1126 C ALA A 79 6.531 -6.598 8.392 1.00 0.73 C ATOM 1127 O ALA A 79 5.354 -6.943 8.387 1.00 0.77 O ATOM 1128 CB ALA A 79 8.095 -5.699 10.116 1.00 0.88 C ATOM 0 H ALA A 79 9.386 -7.528 9.040 1.00 0.91 H new ATOM 0 HA ALA A 79 6.839 -7.402 10.342 1.00 0.86 H new ATOM 0 HB1 ALA A 79 7.325 -4.994 10.429 1.00 0.88 H new ATOM 0 HB2 ALA A 79 8.712 -5.967 10.973 1.00 0.88 H new ATOM 0 HB3 ALA A 79 8.719 -5.238 9.350 1.00 0.88 H new ATOM 1134 N PHE A 80 7.092 -5.944 7.394 1.00 0.65 N ATOM 1135 CA PHE A 80 6.352 -5.591 6.196 1.00 0.60 C ATOM 1136 C PHE A 80 7.116 -6.102 4.993 1.00 0.72 C ATOM 1137 O PHE A 80 6.852 -7.190 4.483 1.00 1.37 O ATOM 1138 CB PHE A 80 6.154 -4.073 6.108 1.00 0.58 C ATOM 1139 CG PHE A 80 5.482 -3.493 7.314 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.105 -3.545 7.447 1.00 0.56 C ATOM 1141 CD2 PHE A 80 6.228 -2.886 8.308 1.00 0.72 C ATOM 1142 CE1 PHE A 80 3.480 -2.998 8.550 1.00 0.65 C ATOM 1143 CE2 PHE A 80 5.611 -2.335 9.413 1.00 0.82 C ATOM 1144 CZ PHE A 80 4.239 -2.445 9.562 1.00 0.77 C ATOM 0 H PHE A 80 8.067 -5.644 7.389 1.00 0.65 H new ATOM 0 HA PHE A 80 5.363 -6.048 6.226 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.124 -3.594 5.976 1.00 0.58 H new ATOM 0 HB3 PHE A 80 5.561 -3.842 5.223 1.00 0.58 H new ATOM 0 HD1 PHE A 80 3.512 -4.019 6.679 1.00 0.56 H new ATOM 0 HD2 PHE A 80 7.303 -2.843 8.219 1.00 0.72 H new ATOM 0 HE1 PHE A 80 2.402 -3.003 8.621 1.00 0.65 H new ATOM 0 HE2 PHE A 80 6.197 -1.819 10.159 1.00 0.82 H new ATOM 0 HZ PHE A 80 3.764 -2.099 10.468 1.00 0.77 H new ATOM 1154 N GLY A 81 8.055 -5.297 4.563 1.00 0.52 N ATOM 1155 CA GLY A 81 9.036 -5.717 3.596 1.00 0.57 C ATOM 1156 C GLY A 81 9.455 -4.571 2.718 1.00 0.50 C ATOM 1157 O GLY A 81 10.430 -3.871 3.001 1.00 0.54 O ATOM 0 H GLY A 81 8.160 -4.331 4.874 1.00 0.52 H new ATOM 0 HA2 GLY A 81 9.907 -6.123 4.110 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.626 -6.519 2.982 1.00 0.57 H new ATOM 1161 N TYR A 82 8.681 -4.343 1.685 1.00 0.45 N ATOM 1162 CA TYR A 82 8.982 -3.306 0.725 1.00 0.44 C ATOM 1163 C TYR A 82 7.697 -2.629 0.305 1.00 0.41 C ATOM 1164 O TYR A 82 6.610 -3.178 0.489 1.00 0.46 O ATOM 1165 CB TYR A 82 9.691 -3.887 -0.508 1.00 0.54 C ATOM 1166 CG TYR A 82 8.814 -4.800 -1.341 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.576 -6.114 -0.950 1.00 1.33 C ATOM 1168 CD2 TYR A 82 8.232 -4.352 -2.518 1.00 1.01 C ATOM 1169 CE1 TYR A 82 7.786 -6.951 -1.711 1.00 1.92 C ATOM 1170 CE2 TYR A 82 7.439 -5.184 -3.282 1.00 1.53 C ATOM 1171 CZ TYR A 82 7.195 -6.469 -2.862 1.00 1.98 C ATOM 1172 OH TYR A 82 6.434 -7.310 -3.636 1.00 2.58 O ATOM 0 H TYR A 82 7.829 -4.867 1.485 1.00 0.45 H new ATOM 0 HA TYR A 82 9.650 -2.581 1.190 1.00 0.44 H new ATOM 0 HB2 TYR A 82 10.044 -3.067 -1.133 1.00 0.54 H new ATOM 0 HB3 TYR A 82 10.571 -4.441 -0.182 1.00 0.54 H new ATOM 0 HD1 TYR A 82 9.017 -6.485 -0.036 1.00 1.33 H new ATOM 0 HD2 TYR A 82 8.402 -3.336 -2.842 1.00 1.01 H new ATOM 0 HE1 TYR A 82 7.631 -7.976 -1.408 1.00 1.92 H new ATOM 0 HE2 TYR A 82 7.012 -4.826 -4.207 1.00 1.53 H new ATOM 0 HH TYR A 82 6.088 -6.818 -4.410 1.00 2.58 H new ATOM 1182 N TYR A 83 7.822 -1.445 -0.247 1.00 0.36 N ATOM 1183 CA TYR A 83 6.680 -0.738 -0.764 1.00 0.38 C ATOM 1184 C TYR A 83 7.045 -0.048 -2.067 1.00 0.38 C ATOM 1185 O TYR A 83 8.199 0.329 -2.279 1.00 0.43 O ATOM 1186 CB TYR A 83 6.159 0.272 0.266 1.00 0.39 C ATOM 1187 CG TYR A 83 7.158 1.330 0.673 1.00 0.39 C ATOM 1188 CD1 TYR A 83 7.338 2.477 -0.091 1.00 0.41 C ATOM 1189 CD2 TYR A 83 7.922 1.181 1.820 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.256 3.442 0.278 1.00 0.49 C ATOM 1191 CE2 TYR A 83 8.841 2.140 2.193 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.005 3.264 1.423 1.00 0.56 C ATOM 1193 OH TYR A 83 9.938 4.208 1.791 1.00 0.68 O ATOM 0 H TYR A 83 8.709 -0.951 -0.349 1.00 0.36 H new ATOM 0 HA TYR A 83 5.882 -1.453 -0.963 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.276 0.763 -0.142 1.00 0.39 H new ATOM 0 HB3 TYR A 83 5.840 -0.269 1.157 1.00 0.39 H new ATOM 0 HD1 TYR A 83 6.751 2.616 -0.987 1.00 0.41 H new ATOM 0 HD2 TYR A 83 7.796 0.300 2.432 1.00 0.50 H new ATOM 0 HE1 TYR A 83 8.386 4.328 -0.325 1.00 0.49 H new ATOM 0 HE2 TYR A 83 9.430 2.006 3.089 1.00 0.58 H new ATOM 0 HH TYR A 83 9.562 5.105 1.668 1.00 0.68 H new ATOM 1203 N LEU A 84 6.071 0.074 -2.945 1.00 0.40 N ATOM 1204 CA LEU A 84 6.261 0.766 -4.202 1.00 0.42 C ATOM 1205 C LEU A 84 5.296 1.931 -4.282 1.00 0.43 C ATOM 1206 O LEU A 84 4.098 1.736 -4.484 1.00 0.50 O ATOM 1207 CB LEU A 84 6.033 -0.183 -5.380 1.00 0.51 C ATOM 1208 CG LEU A 84 6.940 -1.413 -5.413 1.00 0.66 C ATOM 1209 CD1 LEU A 84 6.567 -2.316 -6.577 1.00 1.42 C ATOM 1210 CD2 LEU A 84 8.400 -0.999 -5.509 1.00 1.21 C ATOM 0 H LEU A 84 5.132 -0.301 -2.809 1.00 0.40 H new ATOM 0 HA LEU A 84 7.286 1.134 -4.253 1.00 0.42 H new ATOM 0 HB2 LEU A 84 4.996 -0.517 -5.360 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.171 0.375 -6.306 1.00 0.51 H new ATOM 0 HG LEU A 84 6.801 -1.968 -4.485 1.00 0.66 H new ATOM 0 HD11 LEU A 84 7.222 -3.187 -6.586 1.00 1.42 H new ATOM 0 HD12 LEU A 84 5.532 -2.641 -6.468 1.00 1.42 H new ATOM 0 HD13 LEU A 84 6.678 -1.768 -7.513 1.00 1.42 H new ATOM 0 HD21 LEU A 84 9.030 -1.888 -5.531 1.00 1.21 H new ATOM 0 HD22 LEU A 84 8.555 -0.422 -6.420 1.00 1.21 H new ATOM 0 HD23 LEU A 84 8.663 -0.390 -4.644 1.00 1.21 H new ATOM 1222 N THR A 85 5.810 3.138 -4.128 1.00 0.43 N ATOM 1223 CA THR A 85 4.975 4.309 -4.109 1.00 0.47 C ATOM 1224 C THR A 85 4.676 4.706 -5.538 1.00 0.45 C ATOM 1225 O THR A 85 5.488 5.341 -6.209 1.00 0.50 O ATOM 1226 CB THR A 85 5.683 5.469 -3.391 1.00 0.58 C ATOM 1227 OG1 THR A 85 6.551 4.958 -2.371 1.00 0.75 O ATOM 1228 CG2 THR A 85 4.667 6.402 -2.770 1.00 0.98 C ATOM 0 H THR A 85 6.806 3.325 -4.014 1.00 0.43 H new ATOM 0 HA THR A 85 4.053 4.087 -3.573 1.00 0.47 H new ATOM 0 HB THR A 85 6.272 6.022 -4.123 1.00 0.58 H new ATOM 0 HG1 THR A 85 6.054 4.873 -1.531 1.00 0.75 H new ATOM 0 HG21 THR A 85 5.184 7.218 -2.265 1.00 0.98 H new ATOM 0 HG22 THR A 85 4.022 6.808 -3.549 1.00 0.98 H new ATOM 0 HG23 THR A 85 4.063 5.853 -2.048 1.00 0.98 H new ATOM 1236 N LEU A 86 3.516 4.300 -6.002 1.00 0.43 N ATOM 1237 CA LEU A 86 3.186 4.419 -7.398 1.00 0.43 C ATOM 1238 C LEU A 86 1.995 5.337 -7.593 1.00 0.45 C ATOM 1239 O LEU A 86 0.982 5.219 -6.901 1.00 0.50 O ATOM 1240 CB LEU A 86 2.916 3.021 -7.968 1.00 0.46 C ATOM 1241 CG LEU A 86 2.525 2.965 -9.443 1.00 0.63 C ATOM 1242 CD1 LEU A 86 3.067 1.699 -10.072 1.00 1.23 C ATOM 1243 CD2 LEU A 86 1.016 3.019 -9.601 1.00 1.35 C ATOM 0 H LEU A 86 2.784 3.883 -5.427 1.00 0.43 H new ATOM 0 HA LEU A 86 4.024 4.864 -7.935 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.810 2.413 -7.826 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.120 2.559 -7.384 1.00 0.46 H new ATOM 0 HG LEU A 86 2.955 3.830 -9.948 1.00 0.63 H new ATOM 0 HD11 LEU A 86 2.784 1.666 -11.124 1.00 1.23 H new ATOM 0 HD12 LEU A 86 4.154 1.687 -9.988 1.00 1.23 H new ATOM 0 HD13 LEU A 86 2.654 0.831 -9.558 1.00 1.23 H new ATOM 0 HD21 LEU A 86 0.759 2.978 -10.660 1.00 1.35 H new ATOM 0 HD22 LEU A 86 0.566 2.171 -9.085 1.00 1.35 H new ATOM 0 HD23 LEU A 86 0.638 3.947 -9.172 1.00 1.35 H new ATOM 1255 N THR A 87 2.121 6.261 -8.525 1.00 0.48 N ATOM 1256 CA THR A 87 1.021 7.139 -8.837 1.00 0.55 C ATOM 1257 C THR A 87 0.186 6.526 -9.949 1.00 0.55 C ATOM 1258 O THR A 87 0.703 6.240 -11.032 1.00 0.56 O ATOM 1259 CB THR A 87 1.528 8.533 -9.259 1.00 0.61 C ATOM 1260 OG1 THR A 87 2.457 8.415 -10.348 1.00 1.21 O ATOM 1261 CG2 THR A 87 2.208 9.234 -8.091 1.00 1.26 C ATOM 0 H THR A 87 2.967 6.419 -9.072 1.00 0.48 H new ATOM 0 HA THR A 87 0.407 7.262 -7.944 1.00 0.55 H new ATOM 0 HB THR A 87 0.669 9.124 -9.577 1.00 0.61 H new ATOM 0 HG1 THR A 87 2.210 7.649 -10.907 1.00 1.21 H new ATOM 0 HG21 THR A 87 2.558 10.216 -8.410 1.00 1.26 H new ATOM 0 HG22 THR A 87 1.497 9.351 -7.273 1.00 1.26 H new ATOM 0 HG23 THR A 87 3.056 8.638 -7.753 1.00 1.26 H new ATOM 1269 N ARG A 88 -1.107 6.363 -9.666 1.00 0.60 N ATOM 1270 CA ARG A 88 -2.062 5.729 -10.576 1.00 0.67 C ATOM 1271 C ARG A 88 -3.239 5.207 -9.765 1.00 0.71 C ATOM 1272 O ARG A 88 -3.127 4.168 -9.120 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.450 4.539 -11.329 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.222 4.145 -12.573 1.00 0.93 C ATOM 1275 CD ARG A 88 -1.760 2.801 -13.100 1.00 1.05 C ATOM 1276 NE ARG A 88 -2.206 1.702 -12.246 1.00 0.86 N ATOM 1277 CZ ARG A 88 -1.398 0.827 -11.661 1.00 0.99 C ATOM 1278 NH1 ARG A 88 -0.079 0.950 -11.773 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -1.917 -0.168 -10.954 1.00 1.34 N ATOM 0 H ARG A 88 -1.525 6.671 -8.788 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.367 6.480 -11.305 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.426 4.786 -11.610 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -1.399 3.682 -10.657 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.287 4.103 -12.345 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.090 4.906 -13.343 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.143 2.655 -14.110 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -0.672 2.791 -13.167 1.00 1.05 H new ATOM 0 HE ARG A 88 -3.209 1.600 -12.089 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.317 1.720 -12.311 1.00 1.06 H new ATOM 0 HH12 ARG A 88 0.536 0.274 -11.321 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -2.929 -0.256 -10.864 1.00 1.34 H new ATOM 0 HH22 ARG A 88 -1.304 -0.846 -10.501 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.349 5.920 -9.775 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.499 5.512 -8.987 1.00 0.55 C ATOM 1295 C LEU A 89 -6.770 6.164 -9.507 1.00 0.55 C ATOM 1296 O LEU A 89 -6.733 7.238 -10.110 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.282 5.870 -7.510 1.00 0.62 C ATOM 1298 CG LEU A 89 -6.372 5.394 -6.545 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -6.468 3.878 -6.542 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -6.098 5.909 -5.146 1.00 1.06 C ATOM 0 H LEU A 89 -4.480 6.776 -10.314 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.610 4.431 -9.076 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.329 5.449 -7.189 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -5.196 6.953 -7.426 1.00 0.62 H new ATOM 0 HG LEU A 89 -7.327 5.794 -6.885 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -7.249 3.564 -5.849 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -6.710 3.527 -7.545 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -5.514 3.454 -6.230 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -6.881 5.563 -4.471 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -5.133 5.536 -4.804 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -6.083 6.999 -5.156 1.00 1.06 H new ATOM 1312 N ASP A 90 -7.887 5.500 -9.266 1.00 0.47 N ATOM 1313 CA ASP A 90 -9.193 5.992 -9.676 1.00 0.52 C ATOM 1314 C ASP A 90 -10.119 6.023 -8.477 1.00 0.53 C ATOM 1315 O ASP A 90 -9.803 5.454 -7.431 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.807 5.098 -10.759 1.00 0.68 C ATOM 1317 CG ASP A 90 -9.173 5.284 -12.120 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -9.560 6.229 -12.838 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -8.267 4.498 -12.468 1.00 2.21 O ATOM 0 H ASP A 90 -7.915 4.604 -8.780 1.00 0.47 H new ATOM 0 HA ASP A 90 -9.066 6.995 -10.084 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -9.707 4.055 -10.459 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -10.874 5.308 -10.831 1.00 0.68 H new ATOM 1324 N LYS A 91 -11.264 6.666 -8.630 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.258 6.695 -7.570 1.00 0.75 C ATOM 1326 C LYS A 91 -12.893 5.312 -7.444 1.00 0.79 C ATOM 1327 O LYS A 91 -13.132 4.820 -6.343 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.316 7.781 -7.853 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.345 7.965 -6.742 1.00 1.15 C ATOM 1330 CD LYS A 91 -15.475 6.955 -6.851 1.00 1.38 C ATOM 1331 CE LYS A 91 -16.349 6.948 -5.608 1.00 1.71 C ATOM 1332 NZ LYS A 91 -17.418 5.921 -5.702 1.00 2.24 N ATOM 0 H LYS A 91 -11.528 7.173 -9.475 1.00 0.63 H new ATOM 0 HA LYS A 91 -11.781 6.948 -6.623 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -12.808 8.730 -8.021 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -13.838 7.530 -8.777 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -13.857 7.862 -5.773 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -14.753 8.975 -6.787 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -16.086 7.186 -7.723 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -15.059 5.960 -7.008 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.733 6.755 -4.730 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -16.798 7.932 -5.472 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -17.997 5.942 -4.838 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -18.020 6.120 -6.527 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -16.987 4.980 -5.807 1.00 2.24 H new ATOM 1346 N ALA A 92 -13.136 4.680 -8.587 1.00 0.81 N ATOM 1347 CA ALA A 92 -13.669 3.324 -8.613 1.00 0.94 C ATOM 1348 C ALA A 92 -12.659 2.340 -8.038 1.00 0.81 C ATOM 1349 O ALA A 92 -13.025 1.373 -7.366 1.00 0.81 O ATOM 1350 CB ALA A 92 -14.043 2.928 -10.034 1.00 1.13 C ATOM 0 H ALA A 92 -12.972 5.086 -9.508 1.00 0.81 H new ATOM 0 HA ALA A 92 -14.567 3.296 -7.996 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -14.439 1.913 -10.036 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -14.799 3.614 -10.416 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -13.158 2.974 -10.669 1.00 1.13 H new ATOM 1356 N ALA A 93 -11.381 2.610 -8.284 1.00 0.73 N ATOM 1357 CA ALA A 93 -10.308 1.770 -7.774 1.00 0.67 C ATOM 1358 C ALA A 93 -10.273 1.809 -6.250 1.00 0.57 C ATOM 1359 O ALA A 93 -9.912 0.828 -5.604 1.00 0.57 O ATOM 1360 CB ALA A 93 -8.971 2.201 -8.355 1.00 0.69 C ATOM 0 H ALA A 93 -11.064 3.407 -8.836 1.00 0.73 H new ATOM 0 HA ALA A 93 -10.499 0.742 -8.083 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -8.180 1.562 -7.962 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -9.001 2.115 -9.441 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.771 3.236 -8.079 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.660 2.948 -5.686 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.777 3.097 -4.237 1.00 0.58 C ATOM 1368 C CYS A 94 -11.760 2.068 -3.677 1.00 0.60 C ATOM 1369 O CYS A 94 -11.451 1.352 -2.722 1.00 0.63 O ATOM 1370 CB CYS A 94 -11.240 4.517 -3.889 1.00 0.67 C ATOM 1371 SG CYS A 94 -11.525 4.805 -2.112 1.00 1.02 S ATOM 0 H CYS A 94 -10.900 3.788 -6.213 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.799 2.926 -3.786 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -10.492 5.226 -4.244 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -12.162 4.728 -4.431 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.933 1.974 -4.299 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.954 1.022 -3.873 1.00 0.71 C ATOM 1378 C VAL A 95 -13.480 -0.406 -4.110 1.00 0.65 C ATOM 1379 O VAL A 95 -13.763 -1.309 -3.324 1.00 0.67 O ATOM 1380 CB VAL A 95 -15.293 1.257 -4.608 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -16.379 0.325 -4.078 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.720 2.711 -4.478 1.00 1.04 C ATOM 0 H VAL A 95 -13.199 2.546 -5.100 1.00 0.64 H new ATOM 0 HA VAL A 95 -14.121 1.176 -2.807 1.00 0.71 H new ATOM 0 HB VAL A 95 -15.147 1.032 -5.664 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -17.311 0.511 -4.612 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -16.075 -0.711 -4.229 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.528 0.508 -3.014 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.665 2.861 -5.001 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.845 2.961 -3.424 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.957 3.355 -4.916 1.00 1.04 H new ATOM 1392 N SER A 96 -12.735 -0.590 -5.185 1.00 0.62 N ATOM 1393 CA SER A 96 -12.169 -1.883 -5.519 1.00 0.61 C ATOM 1394 C SER A 96 -11.221 -2.355 -4.410 1.00 0.55 C ATOM 1395 O SER A 96 -11.275 -3.513 -3.978 1.00 0.58 O ATOM 1396 CB SER A 96 -11.437 -1.767 -6.852 1.00 0.68 C ATOM 1397 OG SER A 96 -11.075 -3.035 -7.366 1.00 1.00 O ATOM 0 H SER A 96 -12.506 0.150 -5.848 1.00 0.62 H new ATOM 0 HA SER A 96 -12.964 -2.624 -5.608 1.00 0.61 H new ATOM 0 HB2 SER A 96 -12.073 -1.251 -7.572 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.542 -1.158 -6.723 1.00 0.68 H new ATOM 0 HG SER A 96 -10.610 -2.921 -8.221 1.00 1.00 H new ATOM 1403 N LEU A 97 -10.377 -1.444 -3.931 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.463 -1.744 -2.832 1.00 0.61 C ATOM 1405 C LEU A 97 -10.231 -2.092 -1.568 1.00 0.63 C ATOM 1406 O LEU A 97 -9.775 -2.891 -0.754 1.00 0.70 O ATOM 1407 CB LEU A 97 -8.531 -0.561 -2.580 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.620 -0.201 -3.754 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.821 1.056 -3.449 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.691 -1.359 -4.087 1.00 0.89 C ATOM 0 H LEU A 97 -10.307 -0.491 -4.287 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.863 -2.609 -3.114 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -9.134 0.311 -2.326 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.911 -0.784 -1.712 1.00 0.69 H new ATOM 0 HG LEU A 97 -8.247 -0.004 -4.624 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -6.179 1.294 -4.297 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -7.504 1.886 -3.266 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -6.206 0.891 -2.564 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -6.051 -1.083 -4.925 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -6.073 -1.591 -3.220 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -7.282 -2.234 -4.355 1.00 0.89 H new ATOM 1422 N ALA A 98 -11.404 -1.503 -1.415 1.00 0.64 N ATOM 1423 CA ALA A 98 -12.280 -1.841 -0.309 1.00 0.75 C ATOM 1424 C ALA A 98 -12.860 -3.238 -0.503 1.00 0.71 C ATOM 1425 O ALA A 98 -13.017 -3.995 0.451 1.00 0.85 O ATOM 1426 CB ALA A 98 -13.383 -0.805 -0.170 1.00 0.92 C ATOM 0 H ALA A 98 -11.771 -0.788 -2.043 1.00 0.64 H new ATOM 0 HA ALA A 98 -11.699 -1.839 0.613 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -14.031 -1.073 0.664 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -12.941 0.174 0.014 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.969 -0.772 -1.089 1.00 0.92 H new ATOM 1432 N THR A 99 -13.171 -3.589 -1.743 1.00 0.66 N ATOM 1433 CA THR A 99 -13.690 -4.917 -2.044 1.00 0.71 C ATOM 1434 C THR A 99 -12.561 -5.941 -2.154 1.00 0.66 C ATOM 1435 O THR A 99 -12.768 -7.065 -2.606 1.00 0.77 O ATOM 1436 CB THR A 99 -14.540 -4.922 -3.334 1.00 0.81 C ATOM 1437 OG1 THR A 99 -13.806 -4.359 -4.427 1.00 0.82 O ATOM 1438 CG2 THR A 99 -15.835 -4.142 -3.134 1.00 0.92 C ATOM 0 H THR A 99 -13.074 -2.977 -2.553 1.00 0.66 H new ATOM 0 HA THR A 99 -14.336 -5.199 -1.213 1.00 0.71 H new ATOM 0 HB THR A 99 -14.784 -5.959 -3.566 1.00 0.81 H new ATOM 0 HG1 THR A 99 -12.868 -4.245 -4.167 1.00 0.82 H new ATOM 0 HG21 THR A 99 -16.416 -4.160 -4.056 1.00 0.92 H new ATOM 0 HG22 THR A 99 -16.414 -4.598 -2.331 1.00 0.92 H new ATOM 0 HG23 THR A 99 -15.601 -3.110 -2.872 1.00 0.92 H new ATOM 1446 N LEU A 100 -11.373 -5.541 -1.730 1.00 0.59 N ATOM 1447 CA LEU A 100 -10.224 -6.431 -1.698 1.00 0.61 C ATOM 1448 C LEU A 100 -9.840 -6.697 -0.245 1.00 0.66 C ATOM 1449 O LEU A 100 -9.358 -5.803 0.448 1.00 0.93 O ATOM 1450 CB LEU A 100 -9.041 -5.799 -2.442 1.00 0.60 C ATOM 1451 CG LEU A 100 -8.103 -6.774 -3.167 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -7.009 -6.006 -3.894 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.488 -7.779 -2.203 1.00 0.73 C ATOM 0 H LEU A 100 -11.179 -4.596 -1.400 1.00 0.59 H new ATOM 0 HA LEU A 100 -10.481 -7.370 -2.189 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -9.433 -5.092 -3.173 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -8.453 -5.224 -1.727 1.00 0.60 H new ATOM 0 HG LEU A 100 -8.696 -7.329 -3.894 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -6.350 -6.708 -4.405 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -7.460 -5.334 -4.625 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -6.433 -5.425 -3.174 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -6.830 -8.453 -2.751 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -6.914 -7.250 -1.443 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -8.280 -8.355 -1.724 1.00 0.73 H new ATOM 1465 N ASN A 101 -10.059 -7.918 0.223 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.754 -8.249 1.608 1.00 0.66 C ATOM 1467 C ASN A 101 -8.258 -8.475 1.783 1.00 0.70 C ATOM 1468 O ASN A 101 -7.773 -9.609 1.756 1.00 0.79 O ATOM 1469 CB ASN A 101 -10.527 -9.483 2.069 1.00 0.80 C ATOM 1470 CG ASN A 101 -10.570 -9.602 3.583 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -10.517 -10.701 4.133 1.00 1.29 O ATOM 1472 ND2 ASN A 101 -10.691 -8.474 4.270 1.00 1.12 N ATOM 0 H ASN A 101 -10.442 -8.687 -0.327 1.00 0.60 H new ATOM 0 HA ASN A 101 -10.062 -7.406 2.226 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -11.545 -9.438 1.681 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -10.065 -10.377 1.649 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -10.743 -8.500 5.288 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -10.732 -7.580 3.780 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.528 -7.380 1.948 1.00 0.76 N ATOM 1480 CA LEU A 102 -6.079 -7.429 2.093 1.00 0.88 C ATOM 1481 C LEU A 102 -5.670 -8.148 3.372 1.00 0.99 C ATOM 1482 O LEU A 102 -4.565 -8.676 3.466 1.00 1.50 O ATOM 1483 CB LEU A 102 -5.498 -6.015 2.084 1.00 1.07 C ATOM 1484 CG LEU A 102 -5.629 -5.263 0.757 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -5.110 -3.844 0.898 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -4.879 -5.992 -0.349 1.00 1.47 C ATOM 0 H LEU A 102 -7.920 -6.439 1.985 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.681 -7.989 1.247 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -5.990 -5.433 2.863 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -4.442 -6.072 2.348 1.00 1.07 H new ATOM 0 HG LEU A 102 -6.685 -5.223 0.489 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -5.210 -3.324 -0.054 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -5.686 -3.320 1.660 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -4.060 -3.868 1.189 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -4.984 -5.442 -1.284 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -3.823 -6.063 -0.087 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -5.292 -6.994 -0.469 1.00 1.47 H new ATOM 1498 N GLY A 103 -6.581 -8.205 4.335 1.00 0.92 N ATOM 1499 CA GLY A 103 -6.268 -8.790 5.628 1.00 1.04 C ATOM 1500 C GLY A 103 -6.128 -10.303 5.587 1.00 1.12 C ATOM 1501 O GLY A 103 -6.074 -10.955 6.629 1.00 1.70 O ATOM 0 H GLY A 103 -7.535 -7.856 4.245 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -5.340 -8.356 6.000 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -7.051 -8.524 6.338 1.00 1.04 H new ATOM 1505 N THR A 104 -6.078 -10.862 4.387 1.00 1.03 N ATOM 1506 CA THR A 104 -5.896 -12.289 4.215 1.00 1.28 C ATOM 1507 C THR A 104 -4.411 -12.653 4.226 1.00 1.06 C ATOM 1508 O THR A 104 -4.037 -13.743 4.650 1.00 1.25 O ATOM 1509 CB THR A 104 -6.544 -12.772 2.902 1.00 1.73 C ATOM 1510 OG1 THR A 104 -6.136 -11.927 1.811 1.00 2.31 O ATOM 1511 CG2 THR A 104 -8.061 -12.773 3.009 1.00 2.21 C ATOM 0 H THR A 104 -6.162 -10.341 3.514 1.00 1.03 H new ATOM 0 HA THR A 104 -6.386 -12.788 5.051 1.00 1.28 H new ATOM 0 HB THR A 104 -6.211 -13.793 2.716 1.00 1.73 H new ATOM 0 HG1 THR A 104 -6.721 -11.142 1.769 1.00 2.31 H new ATOM 0 HG21 THR A 104 -8.492 -13.118 2.069 1.00 2.21 H new ATOM 0 HG22 THR A 104 -8.368 -13.439 3.815 1.00 2.21 H new ATOM 0 HG23 THR A 104 -8.412 -11.763 3.220 1.00 2.21 H new ATOM 1519 N SER A 105 -3.568 -11.723 3.776 1.00 0.97 N ATOM 1520 CA SER A 105 -2.126 -11.948 3.728 1.00 1.06 C ATOM 1521 C SER A 105 -1.352 -10.636 3.862 1.00 1.02 C ATOM 1522 O SER A 105 -0.341 -10.578 4.557 1.00 1.48 O ATOM 1523 CB SER A 105 -1.733 -12.651 2.420 1.00 1.35 C ATOM 1524 OG SER A 105 -2.302 -13.950 2.330 1.00 2.06 O ATOM 0 H SER A 105 -3.861 -10.806 3.439 1.00 0.97 H new ATOM 0 HA SER A 105 -1.866 -12.588 4.571 1.00 1.06 H new ATOM 0 HB2 SER A 105 -2.061 -12.051 1.571 1.00 1.35 H new ATOM 0 HB3 SER A 105 -0.647 -12.724 2.358 1.00 1.35 H new ATOM 0 HG SER A 105 -2.033 -14.367 1.485 1.00 2.06 H new ATOM 1530 N ALA A 106 -1.845 -9.588 3.200 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.180 -8.282 3.160 1.00 0.73 C ATOM 1532 C ALA A 106 -0.821 -7.756 4.551 1.00 0.59 C ATOM 1533 O ALA A 106 -1.410 -8.157 5.556 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.051 -7.273 2.427 1.00 0.90 C ATOM 0 H ALA A 106 -2.719 -9.620 2.675 1.00 0.76 H new ATOM 0 HA ALA A 106 -0.242 -8.420 2.621 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -1.547 -6.307 2.403 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -2.226 -7.616 1.407 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.005 -7.172 2.944 1.00 0.90 H new ATOM 1540 N LYS A 107 0.147 -6.842 4.597 1.00 0.51 N ATOM 1541 CA LYS A 107 0.649 -6.342 5.867 1.00 0.47 C ATOM 1542 C LYS A 107 -0.212 -5.200 6.406 1.00 0.51 C ATOM 1543 O LYS A 107 -0.260 -4.973 7.614 1.00 0.70 O ATOM 1544 CB LYS A 107 2.109 -5.881 5.752 1.00 0.58 C ATOM 1545 CG LYS A 107 3.113 -6.892 6.285 1.00 0.99 C ATOM 1546 CD LYS A 107 3.496 -7.922 5.242 1.00 0.67 C ATOM 1547 CE LYS A 107 4.186 -9.129 5.870 1.00 1.07 C ATOM 1548 NZ LYS A 107 5.579 -8.840 6.290 1.00 1.69 N ATOM 0 H LYS A 107 0.594 -6.438 3.774 1.00 0.51 H new ATOM 0 HA LYS A 107 0.599 -7.173 6.570 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.334 -5.675 4.706 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.228 -4.943 6.294 1.00 0.58 H new ATOM 0 HG2 LYS A 107 4.008 -6.369 6.623 1.00 0.99 H new ATOM 0 HG3 LYS A 107 2.691 -7.397 7.154 1.00 0.99 H new ATOM 0 HD2 LYS A 107 2.604 -8.249 4.709 1.00 0.67 H new ATOM 0 HD3 LYS A 107 4.158 -7.466 4.506 1.00 0.67 H new ATOM 0 HE2 LYS A 107 3.612 -9.461 6.735 1.00 1.07 H new ATOM 0 HE3 LYS A 107 4.190 -9.952 5.155 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 6.118 -9.728 6.339 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 6.024 -8.202 5.600 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 5.572 -8.387 7.226 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.877 -4.470 5.519 1.00 0.50 N ATOM 1563 CA GLY A 108 -1.741 -3.394 5.962 1.00 0.61 C ATOM 1564 C GLY A 108 -2.168 -2.479 4.838 1.00 0.58 C ATOM 1565 O GLY A 108 -1.857 -2.714 3.676 1.00 0.81 O ATOM 0 H GLY A 108 -0.834 -4.603 4.509 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -2.627 -3.818 6.434 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -1.223 -2.809 6.722 1.00 0.61 H new ATOM 1569 N TYR A 109 -2.881 -1.428 5.199 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.420 -0.481 4.239 1.00 0.49 C ATOM 1571 C TYR A 109 -3.732 0.833 4.960 1.00 0.47 C ATOM 1572 O TYR A 109 -4.446 0.833 5.958 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.674 -1.109 3.606 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.439 -0.231 2.635 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -6.252 0.794 3.096 1.00 1.25 C ATOM 1576 CD2 TYR A 109 -5.314 -0.403 1.265 1.00 0.98 C ATOM 1577 CE1 TYR A 109 -6.929 1.618 2.217 1.00 1.39 C ATOM 1578 CE2 TYR A 109 -5.983 0.419 0.380 1.00 1.13 C ATOM 1579 CZ TYR A 109 -6.893 1.330 0.855 1.00 0.99 C ATOM 1580 OH TYR A 109 -7.457 2.243 -0.021 1.00 1.28 O ATOM 0 H TYR A 109 -3.104 -1.206 6.169 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.707 -0.259 3.445 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.377 -2.019 3.085 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.351 -1.406 4.407 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -6.358 0.951 4.159 1.00 1.25 H new ATOM 0 HD2 TYR A 109 -4.683 -1.193 0.884 1.00 0.98 H new ATOM 0 HE1 TYR A 109 -7.478 2.473 2.581 1.00 1.39 H new ATOM 0 HE2 TYR A 109 -5.791 0.345 -0.680 1.00 1.13 H new ATOM 0 HH TYR A 109 -7.361 1.917 -0.940 1.00 1.28 H new ATOM 1590 N GLY A 110 -3.178 1.945 4.487 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.364 3.209 5.182 1.00 0.48 C ATOM 1592 C GLY A 110 -3.546 4.383 4.243 1.00 0.52 C ATOM 1593 O GLY A 110 -2.687 4.664 3.409 1.00 0.85 O ATOM 0 H GLY A 110 -2.608 1.996 3.643 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -4.235 3.134 5.833 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.502 3.394 5.823 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.656 5.091 4.401 1.00 0.44 N ATOM 1598 CA VAL A 111 -4.987 6.199 3.514 1.00 0.50 C ATOM 1599 C VAL A 111 -4.629 7.529 4.168 1.00 0.50 C ATOM 1600 O VAL A 111 -4.930 7.743 5.344 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.490 6.212 3.148 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -6.759 7.167 1.994 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -6.980 4.817 2.807 1.00 1.53 C ATOM 0 H VAL A 111 -5.343 4.918 5.135 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.406 6.062 2.602 1.00 0.50 H new ATOM 0 HB VAL A 111 -7.041 6.563 4.020 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -7.822 7.159 1.755 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.459 8.175 2.279 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.188 6.852 1.120 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -8.039 4.855 2.554 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.417 4.431 1.957 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.836 4.161 3.665 1.00 1.53 H new ATOM 1613 N ASN A 112 -3.994 8.410 3.391 1.00 0.53 N ATOM 1614 CA ASN A 112 -3.589 9.748 3.853 1.00 0.60 C ATOM 1615 C ASN A 112 -2.381 9.681 4.784 1.00 0.56 C ATOM 1616 O ASN A 112 -2.121 10.616 5.537 1.00 0.69 O ATOM 1617 CB ASN A 112 -4.739 10.490 4.552 1.00 0.69 C ATOM 1618 CG ASN A 112 -5.874 10.858 3.619 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -5.868 11.922 3.005 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -6.863 9.989 3.523 1.00 1.16 N ATOM 0 H ASN A 112 -3.744 8.219 2.421 1.00 0.53 H new ATOM 0 HA ASN A 112 -3.313 10.307 2.959 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -5.128 9.866 5.357 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -4.349 11.397 5.013 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -7.662 10.190 2.921 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -6.828 9.117 4.050 1.00 1.16 H new ATOM 1627 N ILE A 113 -1.634 8.585 4.723 1.00 0.54 N ATOM 1628 CA ILE A 113 -0.420 8.455 5.520 1.00 0.54 C ATOM 1629 C ILE A 113 0.768 9.083 4.798 1.00 0.60 C ATOM 1630 O ILE A 113 1.067 8.740 3.653 1.00 0.73 O ATOM 1631 CB ILE A 113 -0.093 6.973 5.867 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -0.887 6.501 7.090 1.00 0.77 C ATOM 1633 CG2 ILE A 113 1.397 6.780 6.120 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -2.379 6.414 6.869 1.00 0.83 C ATOM 0 H ILE A 113 -1.845 7.779 4.135 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.603 8.984 6.455 1.00 0.54 H new ATOM 0 HB ILE A 113 -0.383 6.372 5.006 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -0.519 5.520 7.391 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -0.694 7.182 7.919 1.00 0.77 H new ATOM 0 HG21 ILE A 113 1.593 5.735 6.360 1.00 0.76 H new ATOM 0 HG22 ILE A 113 1.957 7.059 5.227 1.00 0.76 H new ATOM 0 HG23 ILE A 113 1.709 7.408 6.954 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.863 6.072 7.784 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -2.765 7.397 6.600 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.587 5.709 6.064 1.00 0.83 H new ATOM 1646 N SER A 114 1.419 10.021 5.467 1.00 0.60 N ATOM 1647 CA SER A 114 2.669 10.574 4.987 1.00 0.70 C ATOM 1648 C SER A 114 3.798 10.048 5.871 1.00 0.67 C ATOM 1649 O SER A 114 3.893 10.400 7.049 1.00 0.77 O ATOM 1650 CB SER A 114 2.619 12.105 5.007 1.00 0.83 C ATOM 1651 OG SER A 114 3.746 12.659 4.355 1.00 1.58 O ATOM 0 H SER A 114 1.097 10.416 6.351 1.00 0.60 H new ATOM 0 HA SER A 114 2.844 10.269 3.955 1.00 0.70 H new ATOM 0 HB2 SER A 114 1.707 12.449 4.519 1.00 0.83 H new ATOM 0 HB3 SER A 114 2.581 12.457 6.038 1.00 0.83 H new ATOM 0 HG SER A 114 3.867 13.588 4.643 1.00 1.58 H new ATOM 1657 N GLY A 115 4.635 9.190 5.307 1.00 0.70 N ATOM 1658 CA GLY A 115 5.612 8.478 6.105 1.00 0.70 C ATOM 1659 C GLY A 115 5.488 6.980 5.914 1.00 0.70 C ATOM 1660 O GLY A 115 5.192 6.243 6.854 1.00 0.75 O ATOM 0 H GLY A 115 4.655 8.974 4.310 1.00 0.70 H new ATOM 0 HA2 GLY A 115 6.616 8.801 5.829 1.00 0.70 H new ATOM 0 HA3 GLY A 115 5.476 8.726 7.158 1.00 0.70 H new ATOM 1664 N GLU A 116 5.702 6.547 4.681 1.00 0.73 N ATOM 1665 CA GLU A 116 5.565 5.147 4.290 1.00 0.77 C ATOM 1666 C GLU A 116 6.608 4.266 4.971 1.00 0.75 C ATOM 1667 O GLU A 116 6.322 3.143 5.373 1.00 0.84 O ATOM 1668 CB GLU A 116 5.724 5.047 2.774 1.00 0.82 C ATOM 1669 CG GLU A 116 4.503 4.514 2.060 1.00 0.97 C ATOM 1670 CD GLU A 116 4.403 4.997 0.626 1.00 1.60 C ATOM 1671 OE1 GLU A 116 5.125 4.464 -0.241 1.00 2.05 O ATOM 1672 OE2 GLU A 116 3.620 5.922 0.353 1.00 2.30 O ATOM 0 H GLU A 116 5.978 7.161 3.915 1.00 0.73 H new ATOM 0 HA GLU A 116 4.581 4.794 4.600 1.00 0.77 H new ATOM 0 HB2 GLU A 116 5.961 6.035 2.378 1.00 0.82 H new ATOM 0 HB3 GLU A 116 6.573 4.402 2.550 1.00 0.82 H new ATOM 0 HG2 GLU A 116 4.528 3.424 2.071 1.00 0.97 H new ATOM 0 HG3 GLU A 116 3.608 4.817 2.604 1.00 0.97 H new ATOM 1679 N ASN A 117 7.815 4.797 5.105 1.00 0.67 N ATOM 1680 CA ASN A 117 8.941 4.036 5.637 1.00 0.67 C ATOM 1681 C ASN A 117 8.720 3.691 7.112 1.00 0.69 C ATOM 1682 O ASN A 117 9.243 2.696 7.613 1.00 0.75 O ATOM 1683 CB ASN A 117 10.235 4.837 5.460 1.00 0.71 C ATOM 1684 CG ASN A 117 11.479 4.070 5.868 1.00 1.03 C ATOM 1685 OD1 ASN A 117 11.914 4.132 7.016 1.00 1.95 O ATOM 1686 ND2 ASN A 117 12.066 3.347 4.926 1.00 0.96 N ATOM 0 H ASN A 117 8.042 5.758 4.851 1.00 0.67 H new ATOM 0 HA ASN A 117 9.022 3.100 5.084 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.328 5.137 4.416 1.00 0.71 H new ATOM 0 HB3 ASN A 117 10.171 5.751 6.050 1.00 0.71 H new ATOM 0 HD21 ASN A 117 12.910 2.816 5.142 1.00 0.96 H new ATOM 0 HD22 ASN A 117 11.674 3.321 3.985 1.00 0.96 H new ATOM 1693 N ASN A 118 7.929 4.511 7.791 1.00 0.70 N ATOM 1694 CA ASN A 118 7.625 4.295 9.200 1.00 0.80 C ATOM 1695 C ASN A 118 6.115 4.369 9.437 1.00 0.82 C ATOM 1696 O ASN A 118 5.620 5.225 10.176 1.00 1.00 O ATOM 1697 CB ASN A 118 8.377 5.313 10.080 1.00 0.90 C ATOM 1698 CG ASN A 118 8.011 6.765 9.797 1.00 1.75 C ATOM 1699 OD1 ASN A 118 7.620 7.129 8.684 1.00 2.60 O ATOM 1700 ND2 ASN A 118 8.146 7.609 10.808 1.00 2.33 N ATOM 0 H ASN A 118 7.484 5.335 7.387 1.00 0.70 H new ATOM 0 HA ASN A 118 7.963 3.297 9.481 1.00 0.80 H new ATOM 0 HB2 ASN A 118 8.171 5.094 11.128 1.00 0.90 H new ATOM 0 HB3 ASN A 118 9.449 5.184 9.932 1.00 0.90 H new ATOM 0 HD21 ASN A 118 7.924 8.596 10.681 1.00 2.33 H new ATOM 0 HD22 ASN A 118 8.472 7.272 11.714 1.00 2.33 H new ATOM 1707 N ILE A 119 5.390 3.472 8.776 1.00 0.78 N ATOM 1708 CA ILE A 119 3.934 3.396 8.878 1.00 0.87 C ATOM 1709 C ILE A 119 3.478 3.221 10.332 1.00 0.71 C ATOM 1710 O ILE A 119 4.180 2.628 11.153 1.00 0.73 O ATOM 1711 CB ILE A 119 3.386 2.236 8.009 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.854 2.210 8.006 1.00 1.45 C ATOM 1713 CG2 ILE A 119 3.939 0.899 8.481 1.00 1.38 C ATOM 1714 CD1 ILE A 119 1.226 3.413 7.341 1.00 2.02 C ATOM 0 H ILE A 119 5.796 2.774 8.152 1.00 0.78 H new ATOM 0 HA ILE A 119 3.532 4.340 8.509 1.00 0.87 H new ATOM 0 HB ILE A 119 3.719 2.409 6.986 1.00 1.22 H new ATOM 0 HG12 ILE A 119 1.516 1.307 7.497 1.00 1.45 H new ATOM 0 HG13 ILE A 119 1.499 2.148 9.035 1.00 1.45 H new ATOM 0 HG21 ILE A 119 3.541 0.100 7.856 1.00 1.38 H new ATOM 0 HG22 ILE A 119 5.027 0.909 8.408 1.00 1.38 H new ATOM 0 HG23 ILE A 119 3.647 0.730 9.517 1.00 1.38 H new ATOM 0 HD11 ILE A 119 0.140 3.324 7.378 1.00 2.02 H new ATOM 0 HD12 ILE A 119 1.533 4.319 7.863 1.00 2.02 H new ATOM 0 HD13 ILE A 119 1.551 3.465 6.302 1.00 2.02 H new ATOM 1726 N THR A 120 2.303 3.752 10.634 1.00 0.70 N ATOM 1727 CA THR A 120 1.752 3.708 11.980 1.00 0.64 C ATOM 1728 C THR A 120 0.901 2.452 12.204 1.00 0.56 C ATOM 1729 O THR A 120 0.679 1.671 11.277 1.00 0.54 O ATOM 1730 CB THR A 120 0.922 4.975 12.266 1.00 0.79 C ATOM 1731 OG1 THR A 120 0.277 5.422 11.062 1.00 1.59 O ATOM 1732 CG2 THR A 120 1.806 6.087 12.812 1.00 1.33 C ATOM 0 H THR A 120 1.706 4.224 9.955 1.00 0.70 H new ATOM 0 HA THR A 120 2.590 3.669 12.676 1.00 0.64 H new ATOM 0 HB THR A 120 0.168 4.728 13.013 1.00 0.79 H new ATOM 0 HG1 THR A 120 -0.250 6.226 11.252 1.00 1.59 H new ATOM 0 HG21 THR A 120 1.200 6.972 13.007 1.00 1.33 H new ATOM 0 HG22 THR A 120 2.275 5.757 13.739 1.00 1.33 H new ATOM 0 HG23 THR A 120 2.578 6.330 12.082 1.00 1.33 H new ATOM 1740 N SER A 121 0.449 2.264 13.446 1.00 0.57 N ATOM 1741 CA SER A 121 -0.320 1.082 13.842 1.00 0.55 C ATOM 1742 C SER A 121 -1.585 0.910 12.992 1.00 0.52 C ATOM 1743 O SER A 121 -2.061 1.853 12.353 1.00 0.57 O ATOM 1744 CB SER A 121 -0.685 1.175 15.331 1.00 0.65 C ATOM 1745 OG SER A 121 -1.193 -0.058 15.825 1.00 1.27 O ATOM 0 H SER A 121 0.606 2.927 14.205 1.00 0.57 H new ATOM 0 HA SER A 121 0.304 0.204 13.674 1.00 0.55 H new ATOM 0 HB2 SER A 121 0.196 1.462 15.905 1.00 0.65 H new ATOM 0 HB3 SER A 121 -1.428 1.959 15.475 1.00 0.65 H new ATOM 0 HG SER A 121 -1.413 0.036 16.775 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.138 -0.298 13.010 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.235 -0.658 12.124 1.00 0.50 C ATOM 1753 C PHE A 122 -4.474 -1.086 12.902 1.00 0.53 C ATOM 1754 O PHE A 122 -4.385 -1.858 13.858 1.00 0.68 O ATOM 1755 CB PHE A 122 -2.807 -1.804 11.203 1.00 0.52 C ATOM 1756 CG PHE A 122 -1.583 -1.513 10.380 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -0.322 -1.819 10.861 1.00 0.61 C ATOM 1758 CD2 PHE A 122 -1.696 -0.942 9.124 1.00 0.53 C ATOM 1759 CE1 PHE A 122 0.804 -1.558 10.107 1.00 0.66 C ATOM 1760 CE2 PHE A 122 -0.573 -0.680 8.364 1.00 0.59 C ATOM 1761 CZ PHE A 122 0.678 -0.988 8.856 1.00 0.63 C ATOM 0 H PHE A 122 -1.841 -1.048 13.634 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.484 0.227 11.538 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -2.621 -2.691 11.809 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -3.633 -2.043 10.533 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -0.218 -2.267 11.838 1.00 0.61 H new ATOM 0 HD2 PHE A 122 -2.673 -0.699 8.734 1.00 0.53 H new ATOM 0 HE1 PHE A 122 1.783 -1.799 10.495 1.00 0.66 H new ATOM 0 HE2 PHE A 122 -0.674 -0.234 7.385 1.00 0.59 H new ATOM 0 HZ PHE A 122 1.558 -0.784 8.264 1.00 0.63 H new ATOM 1771 N GLY A 123 -5.622 -0.572 12.484 1.00 0.53 N ATOM 1772 CA GLY A 123 -6.896 -1.026 13.012 1.00 0.60 C ATOM 1773 C GLY A 123 -7.772 -1.580 11.906 1.00 0.67 C ATOM 1774 O GLY A 123 -7.387 -2.535 11.228 1.00 1.24 O ATOM 0 H GLY A 123 -5.695 0.161 11.779 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -6.729 -1.793 13.768 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.406 -0.198 13.505 1.00 0.60 H new ATOM 1778 N ASN A 124 -8.941 -0.978 11.704 1.00 0.58 N ATOM 1779 CA ASN A 124 -9.799 -1.336 10.572 1.00 0.60 C ATOM 1780 C ASN A 124 -10.208 -0.095 9.788 1.00 0.61 C ATOM 1781 O ASN A 124 -10.671 -0.189 8.651 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.058 -2.085 11.016 1.00 0.81 C ATOM 1783 CG ASN A 124 -10.752 -3.414 11.684 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -10.597 -3.488 12.903 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -10.667 -4.473 10.896 1.00 2.45 N ATOM 0 H ASN A 124 -9.317 -0.244 12.304 1.00 0.58 H new ATOM 0 HA ASN A 124 -9.212 -1.998 9.935 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.622 -1.459 11.707 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -11.696 -2.258 10.149 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -10.467 -5.390 11.294 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -10.802 -4.372 9.890 1.00 2.45 H new ATOM 1792 N SER A 125 -10.001 1.069 10.380 1.00 0.51 N ATOM 1793 CA SER A 125 -10.439 2.318 9.777 1.00 0.55 C ATOM 1794 C SER A 125 -9.300 2.957 8.984 1.00 0.49 C ATOM 1795 O SER A 125 -8.161 2.499 9.041 1.00 0.64 O ATOM 1796 CB SER A 125 -10.946 3.267 10.864 1.00 0.73 C ATOM 1797 OG SER A 125 -11.993 2.666 11.614 1.00 1.33 O ATOM 0 H SER A 125 -9.532 1.176 11.279 1.00 0.51 H new ATOM 0 HA SER A 125 -11.256 2.113 9.085 1.00 0.55 H new ATOM 0 HB2 SER A 125 -10.125 3.536 11.529 1.00 0.73 H new ATOM 0 HB3 SER A 125 -11.303 4.190 10.408 1.00 0.73 H new ATOM 0 HG SER A 125 -12.301 3.290 12.304 1.00 1.33 H new ATOM 1803 N ALA A 126 -9.616 4.005 8.234 1.00 0.61 N ATOM 1804 CA ALA A 126 -8.639 4.660 7.379 1.00 0.57 C ATOM 1805 C ALA A 126 -8.782 6.173 7.455 1.00 0.73 C ATOM 1806 O ALA A 126 -9.589 6.677 8.238 1.00 1.25 O ATOM 1807 CB ALA A 126 -8.787 4.194 5.945 1.00 0.62 C ATOM 0 H ALA A 126 -10.547 4.420 8.202 1.00 0.61 H new ATOM 0 HA ALA A 126 -7.645 4.388 7.734 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -8.047 4.696 5.321 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -8.633 3.116 5.895 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -9.788 4.435 5.586 1.00 0.62 H new ATOM 1813 N ASP A 127 -7.991 6.878 6.637 1.00 0.96 N ATOM 1814 CA ASP A 127 -7.963 8.344 6.604 1.00 1.08 C ATOM 1815 C ASP A 127 -7.214 8.880 7.812 1.00 0.90 C ATOM 1816 O ASP A 127 -7.754 8.942 8.917 1.00 1.34 O ATOM 1817 CB ASP A 127 -9.375 8.942 6.524 1.00 1.42 C ATOM 1818 CG ASP A 127 -9.373 10.460 6.575 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -8.949 11.090 5.587 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -9.817 11.023 7.597 1.00 1.40 O ATOM 0 H ASP A 127 -7.348 6.443 5.975 1.00 0.96 H new ATOM 0 HA ASP A 127 -7.436 8.648 5.699 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -9.852 8.614 5.600 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -9.976 8.556 7.347 1.00 1.42 H new ATOM 1825 N GLN A 128 -5.939 9.207 7.588 1.00 0.95 N ATOM 1826 CA GLN A 128 -5.036 9.663 8.646 1.00 0.92 C ATOM 1827 C GLN A 128 -4.744 8.518 9.611 1.00 0.83 C ATOM 1828 O GLN A 128 -4.160 8.709 10.681 1.00 1.02 O ATOM 1829 CB GLN A 128 -5.621 10.878 9.382 1.00 1.02 C ATOM 1830 CG GLN A 128 -5.846 12.078 8.472 1.00 1.17 C ATOM 1831 CD GLN A 128 -6.474 13.260 9.186 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -7.304 12.989 10.184 1.00 1.72 O flip ATOM 1833 NE2 GLN A 128 -6.221 14.413 8.840 1.00 2.54 N flip ATOM 0 H GLN A 128 -5.504 9.163 6.667 1.00 0.95 H new ATOM 0 HA GLN A 128 -4.096 9.979 8.193 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -6.568 10.595 9.841 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -4.948 11.164 10.190 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -4.892 12.385 8.044 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -6.487 11.781 7.642 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -5.577 14.584 8.068 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -6.655 15.198 9.326 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.130 7.321 9.193 1.00 0.65 N ATOM 1843 CA ALA A 129 -4.935 6.117 9.974 1.00 0.63 C ATOM 1844 C ALA A 129 -4.793 4.921 9.046 1.00 0.52 C ATOM 1845 O ALA A 129 -5.247 4.959 7.894 1.00 0.47 O ATOM 1846 CB ALA A 129 -6.097 5.908 10.935 1.00 0.69 C ATOM 0 H ALA A 129 -5.590 7.161 8.297 1.00 0.65 H new ATOM 0 HA ALA A 129 -4.023 6.222 10.562 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -5.932 4.999 11.513 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -6.168 6.760 11.611 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -7.024 5.816 10.370 1.00 0.69 H new ATOM 1852 N ALA A 130 -4.152 3.875 9.536 1.00 0.54 N ATOM 1853 CA ALA A 130 -3.943 2.669 8.757 1.00 0.50 C ATOM 1854 C ALA A 130 -4.671 1.496 9.396 1.00 0.47 C ATOM 1855 O ALA A 130 -4.954 1.512 10.596 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.457 2.378 8.635 1.00 0.58 C ATOM 0 H ALA A 130 -3.764 3.838 10.479 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.349 2.819 7.757 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.311 1.471 8.049 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -1.962 3.214 8.140 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -2.030 2.240 9.629 1.00 0.58 H new ATOM 1862 N LYS A 131 -4.980 0.480 8.608 1.00 0.43 N ATOM 1863 CA LYS A 131 -5.691 -0.671 9.123 1.00 0.44 C ATOM 1864 C LYS A 131 -5.056 -1.968 8.642 1.00 0.45 C ATOM 1865 O LYS A 131 -4.276 -1.972 7.690 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.168 -0.621 8.726 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.504 -1.281 7.398 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.149 -0.404 6.216 1.00 0.62 C ATOM 1869 CE LYS A 131 -7.904 0.910 6.259 1.00 0.89 C ATOM 1870 NZ LYS A 131 -9.373 0.707 6.309 1.00 1.43 N ATOM 0 H LYS A 131 -4.750 0.431 7.615 1.00 0.43 H new ATOM 0 HA LYS A 131 -5.625 -0.643 10.211 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -7.755 -1.099 9.510 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -7.482 0.422 8.685 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -6.969 -2.227 7.319 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -8.569 -1.513 7.369 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.076 -0.210 6.214 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -7.380 -0.929 5.289 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -7.587 1.481 7.132 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -7.650 1.503 5.380 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -9.853 1.626 6.235 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -9.666 0.098 5.518 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -9.630 0.254 7.209 1.00 1.43 H new ATOM 1884 N SER A 132 -5.398 -3.058 9.310 1.00 0.49 N ATOM 1885 CA SER A 132 -4.831 -4.358 9.000 1.00 0.59 C ATOM 1886 C SER A 132 -5.644 -5.060 7.915 1.00 0.68 C ATOM 1887 O SER A 132 -5.087 -5.652 6.991 1.00 0.97 O ATOM 1888 CB SER A 132 -4.781 -5.210 10.274 1.00 0.69 C ATOM 1889 OG SER A 132 -4.177 -6.473 10.045 1.00 1.43 O ATOM 0 H SER A 132 -6.071 -3.066 10.076 1.00 0.49 H new ATOM 0 HA SER A 132 -3.818 -4.222 8.621 1.00 0.59 H new ATOM 0 HB2 SER A 132 -4.225 -4.677 11.045 1.00 0.69 H new ATOM 0 HB3 SER A 132 -5.793 -5.355 10.653 1.00 0.69 H new ATOM 0 HG SER A 132 -4.163 -6.985 10.880 1.00 1.43 H new ATOM 1895 N THR A 133 -6.964 -4.986 8.021 1.00 0.72 N ATOM 1896 CA THR A 133 -7.830 -5.640 7.058 1.00 0.93 C ATOM 1897 C THR A 133 -8.638 -4.626 6.263 1.00 0.69 C ATOM 1898 O THR A 133 -9.162 -3.661 6.816 1.00 1.11 O ATOM 1899 CB THR A 133 -8.798 -6.615 7.741 1.00 1.84 C ATOM 1900 OG1 THR A 133 -9.523 -5.942 8.776 1.00 2.38 O ATOM 1901 CG2 THR A 133 -8.059 -7.806 8.331 1.00 2.26 C ATOM 0 H THR A 133 -7.453 -4.482 8.761 1.00 0.72 H new ATOM 0 HA THR A 133 -7.179 -6.195 6.383 1.00 0.93 H new ATOM 0 HB THR A 133 -9.492 -6.981 6.984 1.00 1.84 H new ATOM 0 HG1 THR A 133 -10.139 -6.571 9.206 1.00 2.38 H new ATOM 0 HG21 THR A 133 -8.773 -8.478 8.808 1.00 2.26 H new ATOM 0 HG22 THR A 133 -7.534 -8.338 7.538 1.00 2.26 H new ATOM 0 HG23 THR A 133 -7.339 -7.457 9.071 1.00 2.26 H new ATOM 1909 N ALA A 134 -8.737 -4.855 4.966 1.00 0.82 N ATOM 1910 CA ALA A 134 -9.518 -3.989 4.103 1.00 1.50 C ATOM 1911 C ALA A 134 -10.830 -4.668 3.744 1.00 1.30 C ATOM 1912 O ALA A 134 -10.840 -5.818 3.298 1.00 1.86 O ATOM 1913 CB ALA A 134 -8.732 -3.640 2.850 1.00 2.33 C ATOM 0 H ALA A 134 -8.286 -5.634 4.487 1.00 0.82 H new ATOM 0 HA ALA A 134 -9.737 -3.062 4.633 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -9.332 -2.990 2.213 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -7.812 -3.126 3.129 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -8.487 -4.553 2.308 1.00 2.33 H new ATOM 1919 N ILE A 135 -11.934 -3.974 3.970 1.00 0.99 N ATOM 1920 CA ILE A 135 -13.244 -4.512 3.657 1.00 0.96 C ATOM 1921 C ILE A 135 -14.192 -3.378 3.278 1.00 1.21 C ATOM 1922 O ILE A 135 -14.182 -2.315 3.894 1.00 2.09 O ATOM 1923 CB ILE A 135 -13.813 -5.339 4.835 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -15.080 -6.086 4.415 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -14.085 -4.463 6.052 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -14.832 -7.151 3.367 1.00 1.72 C ATOM 0 H ILE A 135 -11.947 -3.036 4.370 1.00 0.99 H new ATOM 0 HA ILE A 135 -13.144 -5.188 2.808 1.00 0.96 H new ATOM 0 HB ILE A 135 -13.057 -6.073 5.115 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -15.528 -6.549 5.294 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -15.804 -5.369 4.029 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -14.484 -5.076 6.860 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -13.157 -3.993 6.377 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -14.810 -3.692 5.791 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -15.773 -7.641 3.116 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -14.413 -6.691 2.472 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -14.132 -7.889 3.757 1.00 1.72 H new ATOM 1938 N THR A 136 -15.018 -3.632 2.276 1.00 1.18 N ATOM 1939 CA THR A 136 -15.749 -2.584 1.577 1.00 1.62 C ATOM 1940 C THR A 136 -16.677 -1.768 2.469 1.00 1.09 C ATOM 1941 O THR A 136 -16.474 -0.564 2.606 1.00 1.00 O ATOM 1942 CB THR A 136 -16.560 -3.177 0.425 1.00 2.43 C ATOM 1943 OG1 THR A 136 -15.811 -4.244 -0.153 1.00 3.11 O ATOM 1944 CG2 THR A 136 -16.858 -2.121 -0.627 1.00 3.17 C ATOM 0 H THR A 136 -15.202 -4.571 1.923 1.00 1.18 H new ATOM 0 HA THR A 136 -14.987 -1.900 1.204 1.00 1.62 H new ATOM 0 HB THR A 136 -17.512 -3.547 0.806 1.00 2.43 H new ATOM 0 HG1 THR A 136 -14.895 -4.226 0.195 1.00 3.11 H new ATOM 0 HG21 THR A 136 -17.436 -2.567 -1.437 1.00 3.17 H new ATOM 0 HG22 THR A 136 -17.430 -1.310 -0.177 1.00 3.17 H new ATOM 0 HG23 THR A 136 -15.922 -1.728 -1.023 1.00 3.17 H new ATOM 1952 N PRO A 137 -17.701 -2.394 3.083 1.00 1.02 N ATOM 1953 CA PRO A 137 -18.745 -1.662 3.798 1.00 1.06 C ATOM 1954 C PRO A 137 -18.190 -0.669 4.820 1.00 0.97 C ATOM 1955 O PRO A 137 -18.712 0.434 4.975 1.00 1.12 O ATOM 1956 CB PRO A 137 -19.556 -2.756 4.509 1.00 1.46 C ATOM 1957 CG PRO A 137 -18.769 -4.015 4.360 1.00 1.55 C ATOM 1958 CD PRO A 137 -17.936 -3.845 3.130 1.00 1.31 C ATOM 0 HA PRO A 137 -19.334 -1.057 3.109 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -19.704 -2.511 5.561 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -20.545 -2.860 4.064 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -18.141 -4.187 5.234 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -19.429 -4.878 4.267 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -17.002 -4.403 3.196 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -18.456 -4.198 2.239 1.00 1.31 H new ATOM 1966 N ALA A 138 -17.126 -1.066 5.501 1.00 1.04 N ATOM 1967 CA ALA A 138 -16.492 -0.220 6.505 1.00 1.16 C ATOM 1968 C ALA A 138 -15.550 0.797 5.858 1.00 0.92 C ATOM 1969 O ALA A 138 -15.667 2.003 6.085 1.00 0.97 O ATOM 1970 CB ALA A 138 -15.735 -1.080 7.507 1.00 1.54 C ATOM 0 H ALA A 138 -16.680 -1.975 5.377 1.00 1.04 H new ATOM 0 HA ALA A 138 -17.273 0.333 7.027 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -15.264 -0.440 8.253 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -16.429 -1.762 7.999 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -14.969 -1.655 6.987 1.00 1.54 H new ATOM 1976 N GLU A 139 -14.631 0.295 5.043 1.00 0.82 N ATOM 1977 CA GLU A 139 -13.619 1.117 4.381 1.00 0.81 C ATOM 1978 C GLU A 139 -14.252 2.234 3.546 1.00 0.71 C ATOM 1979 O GLU A 139 -13.890 3.407 3.680 1.00 0.80 O ATOM 1980 CB GLU A 139 -12.747 0.219 3.494 1.00 0.97 C ATOM 1981 CG GLU A 139 -11.642 0.949 2.755 1.00 1.27 C ATOM 1982 CD GLU A 139 -10.527 1.341 3.685 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -10.670 2.370 4.367 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -9.479 0.662 3.691 1.00 2.13 O ATOM 0 H GLU A 139 -14.564 -0.698 4.820 1.00 0.82 H new ATOM 0 HA GLU A 139 -13.006 1.594 5.146 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -12.300 -0.559 4.114 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.385 -0.281 2.766 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -11.250 0.312 1.962 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -12.049 1.840 2.276 1.00 1.27 H new ATOM 1991 N ALA A 140 -15.219 1.868 2.709 1.00 0.71 N ATOM 1992 CA ALA A 140 -15.847 2.814 1.797 1.00 0.90 C ATOM 1993 C ALA A 140 -16.656 3.865 2.549 1.00 0.85 C ATOM 1994 O ALA A 140 -16.844 4.977 2.064 1.00 1.08 O ATOM 1995 CB ALA A 140 -16.733 2.081 0.801 1.00 1.09 C ATOM 0 H ALA A 140 -15.585 0.918 2.645 1.00 0.71 H new ATOM 0 HA ALA A 140 -15.053 3.329 1.256 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -17.195 2.801 0.126 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -16.130 1.380 0.225 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -17.510 1.536 1.337 1.00 1.09 H new ATOM 2001 N ALA A 141 -17.136 3.510 3.731 1.00 0.71 N ATOM 2002 CA ALA A 141 -17.910 4.437 4.542 1.00 0.82 C ATOM 2003 C ALA A 141 -16.995 5.337 5.367 1.00 0.79 C ATOM 2004 O ALA A 141 -17.356 6.463 5.704 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.861 3.677 5.450 1.00 0.95 C ATOM 0 H ALA A 141 -17.004 2.589 4.149 1.00 0.71 H new ATOM 0 HA ALA A 141 -18.493 5.069 3.872 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -19.433 4.384 6.051 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -19.543 3.080 4.845 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -18.290 3.021 6.107 1.00 0.95 H new ATOM 2011 N THR A 142 -15.812 4.834 5.686 1.00 0.72 N ATOM 2012 CA THR A 142 -14.890 5.560 6.543 1.00 0.83 C ATOM 2013 C THR A 142 -13.994 6.512 5.747 1.00 0.97 C ATOM 2014 O THR A 142 -13.948 7.709 6.028 1.00 1.17 O ATOM 2015 CB THR A 142 -14.013 4.585 7.351 1.00 0.84 C ATOM 2016 OG1 THR A 142 -14.845 3.640 8.034 1.00 0.81 O ATOM 2017 CG2 THR A 142 -13.144 5.324 8.364 1.00 1.00 C ATOM 0 H THR A 142 -15.469 3.928 5.365 1.00 0.72 H new ATOM 0 HA THR A 142 -15.497 6.155 7.225 1.00 0.83 H new ATOM 0 HB THR A 142 -13.355 4.067 6.653 1.00 0.84 H new ATOM 0 HG1 THR A 142 -15.312 3.081 7.378 1.00 0.81 H new ATOM 0 HG21 THR A 142 -12.538 4.606 8.916 1.00 1.00 H new ATOM 0 HG22 THR A 142 -12.491 6.023 7.842 1.00 1.00 H new ATOM 0 HG23 THR A 142 -13.781 5.872 9.059 1.00 1.00 H new ATOM 2025 N ALA A 143 -13.288 5.983 4.753 1.00 0.97 N ATOM 2026 CA ALA A 143 -12.289 6.771 4.041 1.00 1.19 C ATOM 2027 C ALA A 143 -12.761 7.191 2.657 1.00 1.05 C ATOM 2028 O ALA A 143 -12.564 8.337 2.248 1.00 1.28 O ATOM 2029 CB ALA A 143 -10.989 5.995 3.930 1.00 1.42 C ATOM 0 H ALA A 143 -13.387 5.022 4.425 1.00 0.97 H new ATOM 0 HA ALA A 143 -12.126 7.680 4.620 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -10.252 6.595 3.396 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -10.616 5.765 4.928 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -11.165 5.067 3.386 1.00 1.42 H new ATOM 2035 N CYS A 144 -13.384 6.271 1.936 1.00 0.87 N ATOM 2036 CA CYS A 144 -13.751 6.522 0.548 1.00 0.96 C ATOM 2037 C CYS A 144 -15.068 7.292 0.461 1.00 0.91 C ATOM 2038 O CYS A 144 -16.092 6.753 0.049 1.00 1.26 O ATOM 2039 CB CYS A 144 -13.850 5.197 -0.217 1.00 1.28 C ATOM 2040 SG CYS A 144 -13.487 5.327 -1.998 1.00 1.45 S ATOM 0 H CYS A 144 -13.645 5.349 2.285 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.974 7.135 0.091 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -13.161 4.481 0.230 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -14.855 4.793 -0.092 1.00 1.28 H new ATOM 2045 N LYS A 145 -15.039 8.554 0.875 1.00 1.09 N ATOM 2046 CA LYS A 145 -16.224 9.402 0.836 1.00 1.29 C ATOM 2047 C LYS A 145 -16.070 10.492 -0.215 1.00 1.29 C ATOM 2048 O LYS A 145 -16.895 10.620 -1.121 1.00 2.01 O ATOM 2049 CB LYS A 145 -16.479 10.031 2.206 1.00 1.65 C ATOM 2050 CG LYS A 145 -16.826 9.023 3.287 1.00 2.35 C ATOM 2051 CD LYS A 145 -17.102 9.702 4.621 1.00 3.18 C ATOM 2052 CE LYS A 145 -18.265 10.678 4.530 1.00 4.04 C ATOM 2053 NZ LYS A 145 -19.526 10.009 4.109 1.00 4.87 N ATOM 0 H LYS A 145 -14.205 9.013 1.242 1.00 1.09 H new ATOM 0 HA LYS A 145 -17.078 8.778 0.571 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -15.592 10.587 2.511 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -17.292 10.751 2.119 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -17.701 8.449 2.982 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -16.005 8.315 3.402 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -17.321 8.946 5.375 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -16.208 10.232 4.951 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -18.414 11.155 5.499 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -18.020 11.468 3.820 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -20.323 10.667 4.222 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -19.452 9.724 3.112 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -19.686 9.167 4.698 1.00 4.87 H new ATOM 2067 N ASN A 146 -15.014 11.282 -0.082 1.00 1.10 N ATOM 2068 CA ASN A 146 -14.703 12.321 -1.054 1.00 1.21 C ATOM 2069 C ASN A 146 -13.582 11.845 -1.964 1.00 1.25 C ATOM 2070 O ASN A 146 -13.753 11.748 -3.180 1.00 1.88 O ATOM 2071 CB ASN A 146 -14.282 13.616 -0.347 1.00 1.56 C ATOM 2072 CG ASN A 146 -13.965 14.738 -1.321 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -14.591 14.863 -2.373 1.00 2.76 O ATOM 2074 ND2 ASN A 146 -12.974 15.548 -0.986 1.00 2.97 N ATOM 0 H ASN A 146 -14.355 11.223 0.694 1.00 1.10 H new ATOM 0 HA ASN A 146 -15.595 12.525 -1.646 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -15.080 13.936 0.322 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -13.407 13.419 0.272 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -12.705 16.309 -1.609 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -12.479 15.411 -0.105 1.00 2.97 H new ATOM 2081 N THR A 147 -12.448 11.515 -1.343 1.00 1.03 N ATOM 2082 CA THR A 147 -11.260 11.012 -2.037 1.00 1.07 C ATOM 2083 C THR A 147 -10.886 11.848 -3.265 1.00 1.14 C ATOM 2084 O THR A 147 -11.229 11.504 -4.398 1.00 2.01 O ATOM 2085 CB THR A 147 -11.414 9.525 -2.436 1.00 1.20 C ATOM 2086 OG1 THR A 147 -12.658 9.312 -3.119 1.00 1.79 O ATOM 2087 CG2 THR A 147 -11.343 8.626 -1.211 1.00 1.52 C ATOM 0 H THR A 147 -12.327 11.590 -0.333 1.00 1.03 H new ATOM 0 HA THR A 147 -10.444 11.100 -1.320 1.00 1.07 H new ATOM 0 HB THR A 147 -10.592 9.272 -3.106 1.00 1.20 H new ATOM 0 HG1 THR A 147 -12.979 10.162 -3.486 1.00 1.79 H new ATOM 0 HG21 THR A 147 -11.454 7.586 -1.516 1.00 1.52 H new ATOM 0 HG22 THR A 147 -10.380 8.759 -0.717 1.00 1.52 H new ATOM 0 HG23 THR A 147 -12.144 8.889 -0.520 1.00 1.52 H new ATOM 2095 N ASP A 148 -10.198 12.958 -3.031 1.00 0.94 N ATOM 2096 CA ASP A 148 -9.650 13.758 -4.122 1.00 1.01 C ATOM 2097 C ASP A 148 -8.160 13.974 -3.891 1.00 0.89 C ATOM 2098 O ASP A 148 -7.349 13.126 -4.240 1.00 0.88 O ATOM 2099 CB ASP A 148 -10.380 15.099 -4.260 1.00 1.33 C ATOM 2100 CG ASP A 148 -9.901 15.895 -5.461 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -10.394 15.644 -6.581 1.00 2.20 O ATOM 2102 OD2 ASP A 148 -9.028 16.773 -5.293 1.00 2.54 O ATOM 0 H ASP A 148 -10.006 13.325 -2.099 1.00 0.94 H new ATOM 0 HA ASP A 148 -9.796 13.217 -5.057 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -11.451 14.919 -4.350 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -10.230 15.687 -3.354 1.00 1.33 H new ATOM 2107 N SER A 149 -7.802 15.071 -3.240 1.00 0.95 N ATOM 2108 CA SER A 149 -6.414 15.308 -2.873 1.00 1.01 C ATOM 2109 C SER A 149 -6.063 14.423 -1.681 1.00 0.85 C ATOM 2110 O SER A 149 -4.896 14.227 -1.335 1.00 1.07 O ATOM 2111 CB SER A 149 -6.208 16.784 -2.533 1.00 1.27 C ATOM 2112 OG SER A 149 -6.728 17.605 -3.563 1.00 1.53 O ATOM 0 H SER A 149 -8.449 15.807 -2.957 1.00 0.95 H new ATOM 0 HA SER A 149 -5.759 15.061 -3.709 1.00 1.01 H new ATOM 0 HB2 SER A 149 -6.700 17.018 -1.589 1.00 1.27 H new ATOM 0 HB3 SER A 149 -5.146 16.988 -2.398 1.00 1.27 H new ATOM 0 HG SER A 149 -6.591 18.547 -3.331 1.00 1.53 H new ATOM 2118 N THR A 150 -7.108 13.889 -1.064 1.00 0.63 N ATOM 2119 CA THR A 150 -6.979 12.945 0.025 1.00 0.67 C ATOM 2120 C THR A 150 -6.854 11.515 -0.499 1.00 0.56 C ATOM 2121 O THR A 150 -6.582 10.585 0.262 1.00 0.64 O ATOM 2122 CB THR A 150 -8.199 13.047 0.956 1.00 0.92 C ATOM 2123 OG1 THR A 150 -9.397 13.154 0.169 1.00 1.15 O ATOM 2124 CG2 THR A 150 -8.083 14.253 1.875 1.00 1.26 C ATOM 0 H THR A 150 -8.074 14.104 -1.311 1.00 0.63 H new ATOM 0 HA THR A 150 -6.073 13.191 0.580 1.00 0.67 H new ATOM 0 HB THR A 150 -8.239 12.148 1.571 1.00 0.92 H new ATOM 0 HG1 THR A 150 -10.174 13.217 0.763 1.00 1.15 H new ATOM 0 HG21 THR A 150 -8.958 14.302 2.523 1.00 1.26 H new ATOM 0 HG22 THR A 150 -7.185 14.160 2.485 1.00 1.26 H new ATOM 0 HG23 THR A 150 -8.023 15.162 1.277 1.00 1.26 H new ATOM 2132 N ASN A 151 -7.027 11.347 -1.808 1.00 0.49 N ATOM 2133 CA ASN A 151 -7.026 10.019 -2.414 1.00 0.47 C ATOM 2134 C ASN A 151 -5.598 9.548 -2.665 1.00 0.44 C ATOM 2135 O ASN A 151 -5.143 9.463 -3.806 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.821 10.019 -3.725 1.00 0.57 C ATOM 2137 CG ASN A 151 -8.177 8.620 -4.190 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -8.406 7.724 -3.382 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -8.222 8.422 -5.500 1.00 0.79 N ATOM 0 H ASN A 151 -7.169 12.112 -2.467 1.00 0.49 H new ATOM 0 HA ASN A 151 -7.505 9.329 -1.720 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.735 10.597 -3.591 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -7.238 10.518 -4.499 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -8.453 7.500 -5.869 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -8.025 9.192 -6.139 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.877 9.290 -1.582 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.524 8.769 -1.666 1.00 0.41 C ATOM 2148 C LYS A 152 -3.284 7.773 -0.541 1.00 0.39 C ATOM 2149 O LYS A 152 -3.273 8.131 0.638 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.489 9.911 -1.655 1.00 0.48 C ATOM 2151 CG LYS A 152 -2.936 11.176 -0.923 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.682 11.107 0.571 1.00 0.85 C ATOM 2153 CE LYS A 152 -3.409 12.222 1.309 1.00 0.82 C ATOM 2154 NZ LYS A 152 -3.155 13.572 0.733 1.00 1.35 N ATOM 0 H LYS A 152 -5.212 9.435 -0.630 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.403 8.244 -2.614 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.572 9.546 -1.193 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -2.246 10.171 -2.685 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -2.410 12.036 -1.338 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -3.999 11.337 -1.100 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -3.011 10.141 0.953 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -1.612 11.179 0.763 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -4.480 12.022 1.291 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -3.102 12.217 2.355 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -3.113 14.274 1.499 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -2.251 13.566 0.219 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -3.924 13.820 0.078 1.00 1.35 H new ATOM 2168 N VAL A 153 -3.115 6.515 -0.912 1.00 0.36 N ATOM 2169 CA VAL A 153 -3.020 5.449 0.070 1.00 0.37 C ATOM 2170 C VAL A 153 -1.829 4.526 -0.186 1.00 0.35 C ATOM 2171 O VAL A 153 -1.724 3.873 -1.223 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.327 4.616 0.133 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -4.825 4.263 -1.261 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.121 3.351 0.952 1.00 1.32 C ATOM 0 H VAL A 153 -3.041 6.208 -1.882 1.00 0.36 H new ATOM 0 HA VAL A 153 -2.866 5.937 1.032 1.00 0.37 H new ATOM 0 HB VAL A 153 -5.085 5.229 0.620 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -5.742 3.679 -1.183 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -5.024 5.178 -1.819 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -4.066 3.678 -1.781 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.050 2.782 0.983 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -3.339 2.745 0.494 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -3.825 3.618 1.967 1.00 1.32 H new ATOM 2184 N THR A 154 -0.906 4.530 0.754 1.00 0.35 N ATOM 2185 CA THR A 154 0.128 3.509 0.815 1.00 0.38 C ATOM 2186 C THR A 154 -0.409 2.256 1.495 1.00 0.37 C ATOM 2187 O THR A 154 -1.029 2.348 2.557 1.00 0.47 O ATOM 2188 CB THR A 154 1.365 4.001 1.595 1.00 0.52 C ATOM 2189 OG1 THR A 154 1.703 3.079 2.642 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.142 5.386 2.197 1.00 0.96 C ATOM 0 H THR A 154 -0.848 5.232 1.492 1.00 0.35 H new ATOM 0 HA THR A 154 0.423 3.285 -0.210 1.00 0.38 H new ATOM 0 HB THR A 154 2.187 4.063 0.882 1.00 0.52 H new ATOM 0 HG1 THR A 154 1.971 3.577 3.442 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.036 5.696 2.738 1.00 0.96 H new ATOM 0 HG22 THR A 154 0.934 6.100 1.400 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.296 5.352 2.884 1.00 0.96 H new ATOM 2198 N TYR A 155 -0.196 1.085 0.906 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.561 -0.139 1.612 1.00 0.38 C ATOM 2200 C TYR A 155 0.464 -1.259 1.446 1.00 0.38 C ATOM 2201 O TYR A 155 0.883 -1.597 0.341 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.974 -0.611 1.246 1.00 0.41 C ATOM 2203 CG TYR A 155 -2.245 -0.837 -0.224 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -2.444 0.242 -1.074 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -2.262 -2.116 -0.765 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.663 0.052 -2.424 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -2.475 -2.314 -2.115 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.805 -1.277 -2.910 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.890 -1.418 -4.286 1.00 0.79 O ATOM 0 H TYR A 155 0.211 0.956 -0.021 1.00 0.35 H new ATOM 0 HA TYR A 155 -0.561 0.119 2.671 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -2.172 -1.542 1.777 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.687 0.125 1.616 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -2.427 1.245 -0.674 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -2.106 -2.968 -0.120 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -2.725 0.895 -3.097 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -2.377 -3.304 -2.535 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.984 -2.367 -4.512 1.00 0.79 H new ATOM 2219 N PHE A 156 0.855 -1.829 2.579 1.00 0.41 N ATOM 2220 CA PHE A 156 1.834 -2.894 2.626 1.00 0.44 C ATOM 2221 C PHE A 156 1.164 -4.241 2.453 1.00 0.46 C ATOM 2222 O PHE A 156 0.016 -4.427 2.847 1.00 0.46 O ATOM 2223 CB PHE A 156 2.568 -2.849 3.955 1.00 0.44 C ATOM 2224 CG PHE A 156 3.523 -1.708 4.051 1.00 0.45 C ATOM 2225 CD1 PHE A 156 4.740 -1.765 3.401 1.00 0.55 C ATOM 2226 CD2 PHE A 156 3.204 -0.578 4.783 1.00 0.53 C ATOM 2227 CE1 PHE A 156 5.627 -0.716 3.480 1.00 0.62 C ATOM 2228 CE2 PHE A 156 4.089 0.476 4.866 1.00 0.61 C ATOM 2229 CZ PHE A 156 5.302 0.405 4.213 1.00 0.62 C ATOM 0 H PHE A 156 0.496 -1.559 3.495 1.00 0.41 H new ATOM 0 HA PHE A 156 2.545 -2.755 1.811 1.00 0.44 H new ATOM 0 HB2 PHE A 156 1.841 -2.777 4.764 1.00 0.44 H new ATOM 0 HB3 PHE A 156 3.111 -3.784 4.097 1.00 0.44 H new ATOM 0 HD1 PHE A 156 4.998 -2.641 2.825 1.00 0.55 H new ATOM 0 HD2 PHE A 156 2.254 -0.521 5.294 1.00 0.53 H new ATOM 0 HE1 PHE A 156 6.577 -0.771 2.968 1.00 0.62 H new ATOM 0 HE2 PHE A 156 3.833 1.354 5.440 1.00 0.61 H new ATOM 0 HZ PHE A 156 5.998 1.229 4.276 1.00 0.62 H new ATOM 2239 N MET A 157 1.877 -5.196 1.894 1.00 0.59 N ATOM 2240 CA MET A 157 1.258 -6.464 1.565 1.00 0.68 C ATOM 2241 C MET A 157 2.249 -7.618 1.597 1.00 0.82 C ATOM 2242 O MET A 157 3.449 -7.435 1.399 1.00 1.12 O ATOM 2243 CB MET A 157 0.543 -6.372 0.209 1.00 0.83 C ATOM 2244 CG MET A 157 1.315 -5.617 -0.866 1.00 1.47 C ATOM 2245 SD MET A 157 2.807 -6.462 -1.425 1.00 2.50 S ATOM 2246 CE MET A 157 3.466 -5.261 -2.580 1.00 3.27 C ATOM 0 H MET A 157 2.867 -5.123 1.661 1.00 0.59 H new ATOM 0 HA MET A 157 0.516 -6.678 2.334 1.00 0.68 H new ATOM 0 HB2 MET A 157 0.340 -7.381 -0.149 1.00 0.83 H new ATOM 0 HB3 MET A 157 -0.422 -5.886 0.354 1.00 0.83 H new ATOM 0 HG2 MET A 157 0.660 -5.453 -1.722 1.00 1.47 H new ATOM 0 HG3 MET A 157 1.588 -4.635 -0.481 1.00 1.47 H new ATOM 0 HE1 MET A 157 4.392 -5.641 -3.011 1.00 3.27 H new ATOM 0 HE2 MET A 157 2.741 -5.085 -3.375 1.00 3.27 H new ATOM 0 HE3 MET A 157 3.666 -4.325 -2.058 1.00 3.27 H new ATOM 2256 N LYS A 158 1.727 -8.788 1.926 1.00 0.75 N ATOM 2257 CA LYS A 158 2.497 -10.019 1.926 1.00 0.96 C ATOM 2258 C LYS A 158 1.991 -10.925 0.811 1.00 1.43 C ATOM 2259 O LYS A 158 2.767 -11.218 -0.117 1.00 1.89 O ATOM 2260 CB LYS A 158 2.347 -10.706 3.285 1.00 0.95 C ATOM 2261 CG LYS A 158 3.385 -11.777 3.599 1.00 1.11 C ATOM 2262 CD LYS A 158 3.218 -13.038 2.764 1.00 1.49 C ATOM 2263 CE LYS A 158 1.847 -13.669 2.961 1.00 1.88 C ATOM 2264 NZ LYS A 158 1.580 -14.018 4.384 1.00 2.24 N ATOM 2265 OXT LYS A 158 0.810 -11.325 0.876 1.00 2.11 O ATOM 0 H LYS A 158 0.753 -8.910 2.202 1.00 0.75 H new ATOM 0 HA LYS A 158 3.552 -9.804 1.755 1.00 0.96 H new ATOM 0 HB2 LYS A 158 2.390 -9.945 4.064 1.00 0.95 H new ATOM 0 HB3 LYS A 158 1.357 -11.159 3.336 1.00 0.95 H new ATOM 0 HG2 LYS A 158 4.381 -11.368 3.432 1.00 1.11 H new ATOM 0 HG3 LYS A 158 3.320 -12.038 4.655 1.00 1.11 H new ATOM 0 HD2 LYS A 158 3.359 -12.798 1.710 1.00 1.49 H new ATOM 0 HD3 LYS A 158 3.991 -13.757 3.033 1.00 1.49 H new ATOM 0 HE2 LYS A 158 1.079 -12.980 2.609 1.00 1.88 H new ATOM 0 HE3 LYS A 158 1.773 -14.568 2.349 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 0.697 -14.565 4.448 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 2.367 -14.587 4.755 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 1.489 -13.146 4.944 1.00 2.24 H new TER 2279 LYS A 158