USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1099 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 98 GLN : amide:sc= -1.06 K(o=-2,f=-0.14) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.896 K(o=-2,f=-2.7) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= -0.0124 USER MOD Set 2.2: A 65 GLN : amide:sc= -3.61! C(o=-3.6!,f=-7.5!) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= -3.26! USER MOD Set 3.2: A 54 LYS NZ :NH3+ -121:sc= 2.06 (180deg=-0.277) USER MOD Set 4.1: A 52 ASN : amide:sc= -7.49! K(o=-15!,f=-1.5) USER MOD Set 4.2: A 53 GLN : amide:sc= -7.4! K(o=-15!,f=-1.5) USER MOD Set 5.1: A 25 ASN : amide:sc= -7.99! C(o=-8.2!,f=-6.4!) USER MOD Set 5.2: A 28 THR OG1 : rot 180:sc= -0.204 USER MOD Set 6.1: A 5 TYR OH : rot 120:sc= -0.501 USER MOD Set 6.2: A 9 LYS NZ :NH3+ 157:sc= -1.14 (180deg=-1.75!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.35 (180deg=-1.67!) USER MOD Single : A 2 ASN : amide:sc= -0.0165 K(o=-0.016,f=-1.3!) USER MOD Single : A 6 GLN : amide:sc= -12.5! C(o=-13!,f=-8.2!) USER MOD Single : A 17 THR OG1 : rot 99:sc= 0.00114 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -0.099 (180deg=-0.672) USER MOD Single : A 35 TYR OH : rot -51:sc= -3.26! USER MOD Single : A 37 THR OG1 : rot -165:sc= -0.0264 USER MOD Single : A 38 ASN : amide:sc= -3.44! C(o=-3.4!,f=-1.8!) USER MOD Single : A 42 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= -2.22 (180deg=-2.34) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 21:sc= -1.52! USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.12 USER MOD Single : A 58 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.14) USER MOD Single : A 67 SER OG : rot 120:sc= -0.243 USER MOD Single : A 72 ASN : amide:sc= -5.58! K(o=-5.6!,f=-0.63) USER MOD Single : A 75 THR OG1 : rot 120:sc= -0.315 USER MOD Single : A 77 SER OG : rot -170:sc= -0.462 USER MOD Single : A 78 GLN : amide:sc= -3.69! K(o=-3.7!,f=-0.0098) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.5!) USER MOD Single : A 87 GLN : amide:sc= -7.48! C(o=-7.5!,f=-3.7!) USER MOD Single : A 90 GLN : amide:sc= -5.36! C(o=-5.4!,f=-1.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 174:sc= -2.13! USER MOD Single : A 97 ASN : amide:sc= -11.2! C(o=-11!,f=-6.3!) USER MOD Single : A 105 LYS NZ :NH3+ -138:sc= 0.293 (180deg=-0.4) USER MOD Single : A 106 LYS NZ :NH3+ -108:sc= -1.17 (180deg=-3.86!) USER MOD Single : A 108 LYS NZ :NH3+ -147:sc= -0.288 (180deg=-0.991) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0321 USER MOD Single : A 117 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-1.1!) USER MOD Single : A 118 LYS NZ :NH3+ -163:sc= -0.835! (180deg=-1.85!) USER MOD Single : A 123 ASN : amide:sc= -4.81! C(o=-4.8!,f=-5.1!) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.943) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 147:sc= -2.2 (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.032 4.697 7.208 1.00 2.96 N ATOM 2 CA MET A 1 -22.666 5.098 5.825 1.00 2.14 C ATOM 3 C MET A 1 -21.179 5.417 5.721 1.00 1.93 C ATOM 4 O MET A 1 -20.526 5.716 6.722 1.00 2.77 O ATOM 5 CB MET A 1 -23.499 6.321 5.436 1.00 2.48 C ATOM 6 CG MET A 1 -23.482 7.424 6.481 1.00 3.11 C ATOM 7 SD MET A 1 -22.584 8.888 5.931 1.00 3.62 S ATOM 8 CE MET A 1 -23.929 10.055 5.734 1.00 4.70 C ATOM 0 H1 MET A 1 -24.006 5.000 7.411 1.00 2.96 H new ATOM 0 H2 MET A 1 -22.965 3.663 7.299 1.00 2.96 H new ATOM 0 H3 MET A 1 -22.382 5.147 7.883 1.00 2.96 H new ATOM 0 HA MET A 1 -22.873 4.272 5.145 1.00 2.14 H new ATOM 0 HB2 MET A 1 -23.126 6.720 4.493 1.00 2.48 H new ATOM 0 HB3 MET A 1 -24.529 6.009 5.265 1.00 2.48 H new ATOM 0 HG2 MET A 1 -24.507 7.702 6.727 1.00 3.11 H new ATOM 0 HG3 MET A 1 -23.026 7.045 7.396 1.00 3.11 H new ATOM 0 HE1 MET A 1 -23.533 11.013 5.397 1.00 4.70 H new ATOM 0 HE2 MET A 1 -24.636 9.674 4.997 1.00 4.70 H new ATOM 0 HE3 MET A 1 -24.438 10.189 6.689 1.00 4.70 H new ATOM 20 N ASN A 2 -20.648 5.351 4.504 1.00 1.14 N ATOM 21 CA ASN A 2 -19.237 5.632 4.269 1.00 0.94 C ATOM 22 C ASN A 2 -19.025 7.103 3.917 1.00 1.05 C ATOM 23 O ASN A 2 -19.711 7.979 4.444 1.00 1.69 O ATOM 24 CB ASN A 2 -18.698 4.733 3.154 1.00 0.90 C ATOM 25 CG ASN A 2 -19.650 4.636 1.979 1.00 1.88 C ATOM 26 OD1 ASN A 2 -20.642 3.908 2.027 1.00 2.37 O ATOM 27 ND2 ASN A 2 -19.354 5.374 0.916 1.00 2.64 N ATOM 0 H ASN A 2 -21.174 5.105 3.665 1.00 1.14 H new ATOM 0 HA ASN A 2 -18.688 5.422 5.187 1.00 0.94 H new ATOM 0 HB2 ASN A 2 -17.739 5.121 2.810 1.00 0.90 H new ATOM 0 HB3 ASN A 2 -18.514 3.735 3.552 1.00 0.90 H new ATOM 0 HD21 ASN A 2 -19.959 5.352 0.095 1.00 2.64 H new ATOM 0 HD22 ASN A 2 -18.521 5.963 0.920 1.00 2.64 H new ATOM 34 N GLU A 3 -18.069 7.371 3.030 1.00 0.79 N ATOM 35 CA GLU A 3 -17.765 8.737 2.621 1.00 0.82 C ATOM 36 C GLU A 3 -17.764 8.867 1.101 1.00 0.82 C ATOM 37 O GLU A 3 -18.550 9.622 0.530 1.00 1.02 O ATOM 38 CB GLU A 3 -16.405 9.157 3.176 1.00 0.78 C ATOM 39 CG GLU A 3 -16.371 10.581 3.704 1.00 0.87 C ATOM 40 CD GLU A 3 -15.992 10.649 5.170 1.00 1.96 C ATOM 41 OE1 GLU A 3 -16.605 9.916 5.975 1.00 2.72 O ATOM 42 OE2 GLU A 3 -15.084 11.433 5.513 1.00 2.50 O ATOM 0 H GLU A 3 -17.492 6.659 2.582 1.00 0.79 H new ATOM 0 HA GLU A 3 -18.539 9.392 3.021 1.00 0.82 H new ATOM 0 HB2 GLU A 3 -16.124 8.475 3.979 1.00 0.78 H new ATOM 0 HB3 GLU A 3 -15.655 9.052 2.392 1.00 0.78 H new ATOM 0 HG2 GLU A 3 -15.658 11.164 3.121 1.00 0.87 H new ATOM 0 HG3 GLU A 3 -17.349 11.040 3.564 1.00 0.87 H new ATOM 49 N LEU A 4 -16.868 8.128 0.455 1.00 0.65 N ATOM 50 CA LEU A 4 -16.749 8.158 -0.998 1.00 0.69 C ATOM 51 C LEU A 4 -16.661 6.745 -1.564 1.00 0.69 C ATOM 52 O LEU A 4 -16.848 6.529 -2.762 1.00 0.91 O ATOM 53 CB LEU A 4 -15.512 8.958 -1.400 1.00 0.65 C ATOM 54 CG LEU A 4 -15.749 10.022 -2.473 1.00 0.81 C ATOM 55 CD1 LEU A 4 -16.076 11.362 -1.832 1.00 1.51 C ATOM 56 CD2 LEU A 4 -14.531 10.144 -3.376 1.00 1.29 C ATOM 0 H LEU A 4 -16.211 7.499 0.917 1.00 0.65 H new ATOM 0 HA LEU A 4 -17.638 8.637 -1.407 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -15.108 9.443 -0.512 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -14.751 8.265 -1.759 1.00 0.65 H new ATOM 0 HG LEU A 4 -16.600 9.717 -3.081 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -16.242 12.107 -2.610 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -16.976 11.265 -1.225 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -15.245 11.676 -1.200 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -14.715 10.905 -4.134 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -13.663 10.428 -2.780 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -14.341 9.187 -3.861 1.00 1.29 H new ATOM 68 N TYR A 5 -16.366 5.792 -0.690 1.00 0.60 N ATOM 69 CA TYR A 5 -16.238 4.399 -1.071 1.00 0.61 C ATOM 70 C TYR A 5 -16.439 3.513 0.151 1.00 0.58 C ATOM 71 O TYR A 5 -16.736 4.002 1.237 1.00 0.63 O ATOM 72 CB TYR A 5 -14.865 4.142 -1.689 1.00 0.60 C ATOM 73 CG TYR A 5 -13.724 4.467 -0.759 1.00 0.47 C ATOM 74 CD1 TYR A 5 -13.177 5.741 -0.727 1.00 0.43 C ATOM 75 CD2 TYR A 5 -13.185 3.497 0.075 1.00 0.50 C ATOM 76 CE1 TYR A 5 -12.121 6.041 0.113 1.00 0.34 C ATOM 77 CE2 TYR A 5 -12.134 3.787 0.922 1.00 0.48 C ATOM 78 CZ TYR A 5 -11.638 5.068 0.975 1.00 0.36 C ATOM 79 OH TYR A 5 -10.555 5.359 1.776 1.00 0.40 O ATOM 0 H TYR A 5 -16.209 5.967 0.303 1.00 0.60 H new ATOM 0 HA TYR A 5 -17.000 4.162 -1.813 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.797 3.095 -1.985 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.766 4.737 -2.597 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -13.582 6.510 -1.368 1.00 0.43 H new ATOM 0 HD2 TYR A 5 -13.595 2.498 0.061 1.00 0.50 H new ATOM 0 HE1 TYR A 5 -11.676 7.025 0.098 1.00 0.34 H new ATOM 0 HE2 TYR A 5 -11.704 3.012 1.539 1.00 0.48 H new ATOM 0 HH TYR A 5 -10.810 5.265 2.718 1.00 0.40 H new ATOM 89 N GLN A 6 -16.265 2.216 -0.031 1.00 0.62 N ATOM 90 CA GLN A 6 -16.417 1.259 1.050 1.00 0.63 C ATOM 91 C GLN A 6 -15.471 1.590 2.198 1.00 0.59 C ATOM 92 O GLN A 6 -14.257 1.430 2.074 1.00 0.64 O ATOM 93 CB GLN A 6 -16.066 -0.105 0.517 1.00 0.78 C ATOM 94 CG GLN A 6 -14.834 -0.049 -0.357 1.00 1.57 C ATOM 95 CD GLN A 6 -15.159 0.204 -1.804 1.00 1.64 C ATOM 96 OE1 GLN A 6 -16.018 -0.453 -2.390 1.00 2.13 O ATOM 97 NE2 GLN A 6 -14.471 1.167 -2.381 1.00 1.48 N ATOM 0 H GLN A 6 -16.016 1.798 -0.928 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.442 1.290 1.419 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -15.895 -0.790 1.347 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -16.904 -0.501 -0.056 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -14.172 0.738 0.005 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -14.289 -0.989 -0.270 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -13.769 1.682 -1.849 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -14.640 1.398 -3.360 1.00 1.48 H new ATOM 106 N LEU A 7 -16.016 2.050 3.314 1.00 0.61 N ATOM 107 CA LEU A 7 -15.179 2.388 4.454 1.00 0.62 C ATOM 108 C LEU A 7 -14.842 1.146 5.270 1.00 0.65 C ATOM 109 O LEU A 7 -15.613 0.718 6.130 1.00 0.72 O ATOM 110 CB LEU A 7 -15.851 3.445 5.328 1.00 0.67 C ATOM 111 CG LEU A 7 -15.095 4.773 5.402 1.00 0.84 C ATOM 112 CD1 LEU A 7 -16.063 5.945 5.398 1.00 1.39 C ATOM 113 CD2 LEU A 7 -14.214 4.810 6.641 1.00 1.14 C ATOM 0 H LEU A 7 -17.016 2.196 3.454 1.00 0.61 H new ATOM 0 HA LEU A 7 -14.246 2.805 4.074 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -16.854 3.632 4.945 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -15.964 3.048 6.337 1.00 0.67 H new ATOM 0 HG LEU A 7 -14.459 4.857 4.521 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -15.504 6.879 5.451 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -16.653 5.927 4.481 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -16.728 5.871 6.259 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -13.682 5.760 6.681 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -14.834 4.703 7.531 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -13.494 3.993 6.600 1.00 1.14 H new ATOM 125 N GLU A 8 -13.676 0.578 4.984 1.00 0.63 N ATOM 126 CA GLU A 8 -13.195 -0.613 5.671 1.00 0.66 C ATOM 127 C GLU A 8 -12.035 -0.249 6.598 1.00 0.77 C ATOM 128 O GLU A 8 -12.237 -0.010 7.787 1.00 1.39 O ATOM 129 CB GLU A 8 -12.759 -1.660 4.647 1.00 0.71 C ATOM 130 CG GLU A 8 -12.498 -3.022 5.262 1.00 1.04 C ATOM 131 CD GLU A 8 -13.704 -3.565 6.006 1.00 2.09 C ATOM 132 OE1 GLU A 8 -14.843 -3.274 5.585 1.00 2.54 O ATOM 133 OE2 GLU A 8 -13.509 -4.282 7.010 1.00 2.77 O ATOM 0 H GLU A 8 -13.039 0.930 4.270 1.00 0.63 H new ATOM 0 HA GLU A 8 -14.000 -1.031 6.275 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -13.530 -1.755 3.883 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -11.855 -1.315 4.146 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -12.214 -3.723 4.477 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -11.654 -2.952 5.948 1.00 1.04 H new ATOM 140 N LYS A 9 -10.825 -0.182 6.037 1.00 0.59 N ATOM 141 CA LYS A 9 -9.628 0.183 6.798 1.00 0.58 C ATOM 142 C LYS A 9 -9.353 -0.780 7.959 1.00 0.56 C ATOM 143 O LYS A 9 -8.359 -0.631 8.670 1.00 0.81 O ATOM 144 CB LYS A 9 -9.756 1.615 7.331 1.00 0.73 C ATOM 145 CG LYS A 9 -10.641 2.520 6.485 1.00 0.87 C ATOM 146 CD LYS A 9 -10.028 2.799 5.125 1.00 1.08 C ATOM 147 CE LYS A 9 -11.011 2.505 4.002 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.332 1.927 2.809 1.00 1.54 N ATOM 0 H LYS A 9 -10.648 -0.377 5.052 1.00 0.59 H new ATOM 0 HA LYS A 9 -8.783 0.117 6.113 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -10.156 1.579 8.344 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -8.762 2.056 7.396 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -11.618 2.054 6.354 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -10.805 3.461 7.010 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -9.715 3.842 5.073 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -9.133 2.190 4.996 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -11.773 1.811 4.358 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -11.524 3.424 3.718 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -11.021 1.392 2.243 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -9.931 2.694 2.232 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -9.570 1.291 3.118 1.00 1.54 H new ATOM 162 N GLU A 10 -10.230 -1.759 8.151 1.00 0.60 N ATOM 163 CA GLU A 10 -10.074 -2.734 9.228 1.00 0.56 C ATOM 164 C GLU A 10 -10.447 -4.132 8.730 1.00 0.84 C ATOM 165 O GLU A 10 -10.937 -4.275 7.610 1.00 1.40 O ATOM 166 CB GLU A 10 -10.955 -2.339 10.409 1.00 0.88 C ATOM 167 CG GLU A 10 -12.382 -2.062 10.001 1.00 1.68 C ATOM 168 CD GLU A 10 -13.168 -1.334 11.073 1.00 2.35 C ATOM 169 OE1 GLU A 10 -13.286 -1.873 12.193 1.00 2.78 O ATOM 170 OE2 GLU A 10 -13.668 -0.224 10.790 1.00 2.80 O ATOM 0 H GLU A 10 -11.059 -1.900 7.574 1.00 0.60 H new ATOM 0 HA GLU A 10 -9.033 -2.748 9.551 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -10.941 -3.138 11.151 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -10.539 -1.452 10.887 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -12.385 -1.467 9.088 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -12.878 -3.004 9.770 1.00 1.68 H new ATOM 177 N PRO A 11 -10.221 -5.190 9.543 1.00 1.07 N ATOM 178 CA PRO A 11 -10.541 -6.566 9.158 1.00 1.42 C ATOM 179 C PRO A 11 -11.893 -6.680 8.478 1.00 0.83 C ATOM 180 O PRO A 11 -12.927 -6.353 9.061 1.00 0.59 O ATOM 181 CB PRO A 11 -10.560 -7.331 10.488 1.00 2.13 C ATOM 182 CG PRO A 11 -10.344 -6.302 11.553 1.00 2.29 C ATOM 183 CD PRO A 11 -9.642 -5.155 10.888 1.00 1.67 C ATOM 0 HA PRO A 11 -9.819 -6.952 8.439 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -11.510 -7.846 10.629 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -9.778 -8.090 10.514 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -11.293 -5.981 11.983 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -9.744 -6.706 12.369 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -9.836 -4.209 11.393 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -8.561 -5.291 10.872 1.00 1.67 H new ATOM 191 N ILE A 12 -11.875 -7.155 7.244 1.00 0.86 N ATOM 192 CA ILE A 12 -13.090 -7.326 6.472 1.00 0.54 C ATOM 193 C ILE A 12 -13.814 -8.604 6.883 1.00 0.79 C ATOM 194 O ILE A 12 -13.179 -9.594 7.253 1.00 1.12 O ATOM 195 CB ILE A 12 -12.772 -7.386 4.971 1.00 0.51 C ATOM 196 CG1 ILE A 12 -11.966 -6.152 4.573 1.00 0.66 C ATOM 197 CG2 ILE A 12 -14.052 -7.492 4.155 1.00 0.49 C ATOM 198 CD1 ILE A 12 -11.216 -6.307 3.270 1.00 0.53 C ATOM 0 H ILE A 12 -11.024 -7.430 6.754 1.00 0.86 H new ATOM 0 HA ILE A 12 -13.734 -6.469 6.670 1.00 0.54 H new ATOM 0 HB ILE A 12 -12.177 -8.276 4.764 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -12.640 -5.299 4.494 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -11.254 -5.923 5.366 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.805 -7.533 3.094 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.590 -8.397 4.438 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -14.679 -6.622 4.348 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -10.668 -5.390 3.055 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.516 -7.138 3.350 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -11.923 -6.505 2.464 1.00 0.53 H new ATOM 210 N VAL A 13 -15.139 -8.572 6.821 1.00 1.03 N ATOM 211 CA VAL A 13 -15.958 -9.725 7.188 1.00 1.51 C ATOM 212 C VAL A 13 -15.439 -11.010 6.542 1.00 1.29 C ATOM 213 O VAL A 13 -15.590 -12.096 7.104 1.00 1.43 O ATOM 214 CB VAL A 13 -17.440 -9.537 6.795 1.00 2.06 C ATOM 215 CG1 VAL A 13 -18.342 -9.743 8.002 1.00 2.23 C ATOM 216 CG2 VAL A 13 -17.683 -8.168 6.176 1.00 3.06 C ATOM 0 H VAL A 13 -15.673 -7.757 6.519 1.00 1.03 H new ATOM 0 HA VAL A 13 -15.889 -9.807 8.273 1.00 1.51 H new ATOM 0 HB VAL A 13 -17.682 -10.289 6.044 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -19.382 -9.607 7.706 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -18.205 -10.752 8.391 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -18.087 -9.018 8.775 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -18.736 -8.070 5.911 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -17.415 -7.392 6.893 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -17.072 -8.060 5.280 1.00 3.06 H new ATOM 226 N GLY A 14 -14.828 -10.886 5.365 1.00 0.97 N ATOM 227 CA GLY A 14 -14.302 -12.058 4.683 1.00 0.77 C ATOM 228 C GLY A 14 -13.745 -11.748 3.304 1.00 0.71 C ATOM 229 O GLY A 14 -14.395 -12.014 2.293 1.00 1.03 O ATOM 0 H GLY A 14 -14.688 -10.003 4.875 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -13.516 -12.504 5.293 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -15.093 -12.802 4.589 1.00 0.77 H new ATOM 233 N ALA A 15 -12.538 -11.190 3.264 1.00 0.38 N ATOM 234 CA ALA A 15 -11.888 -10.849 2.001 1.00 0.34 C ATOM 235 C ALA A 15 -10.571 -11.607 1.834 1.00 0.32 C ATOM 236 O ALA A 15 -10.007 -12.109 2.806 1.00 0.36 O ATOM 237 CB ALA A 15 -11.643 -9.352 1.933 1.00 0.39 C ATOM 0 H ALA A 15 -11.989 -10.964 4.093 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.550 -11.143 1.187 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -11.158 -9.105 0.989 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -12.594 -8.824 2.001 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -11.001 -9.051 2.760 1.00 0.39 H new ATOM 243 N GLU A 16 -10.082 -11.679 0.596 1.00 0.33 N ATOM 244 CA GLU A 16 -8.824 -12.371 0.303 1.00 0.39 C ATOM 245 C GLU A 16 -7.632 -11.502 0.704 1.00 0.31 C ATOM 246 O GLU A 16 -7.697 -10.279 0.613 1.00 0.33 O ATOM 247 CB GLU A 16 -8.745 -12.737 -1.180 1.00 0.56 C ATOM 248 CG GLU A 16 -8.581 -11.539 -2.099 1.00 0.84 C ATOM 249 CD GLU A 16 -9.130 -11.790 -3.489 1.00 1.22 C ATOM 250 OE1 GLU A 16 -8.787 -12.834 -4.082 1.00 1.43 O ATOM 251 OE2 GLU A 16 -9.903 -10.943 -3.984 1.00 2.01 O ATOM 0 H GLU A 16 -10.536 -11.268 -0.220 1.00 0.33 H new ATOM 0 HA GLU A 16 -8.793 -13.292 0.886 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -7.907 -13.418 -1.333 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -9.649 -13.277 -1.460 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -9.088 -10.679 -1.662 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -7.524 -11.283 -2.171 1.00 0.84 H new ATOM 258 N THR A 17 -6.557 -12.132 1.178 1.00 0.37 N ATOM 259 CA THR A 17 -5.379 -11.388 1.622 1.00 0.32 C ATOM 260 C THR A 17 -4.508 -10.889 0.479 1.00 0.26 C ATOM 261 O THR A 17 -4.310 -11.550 -0.553 1.00 0.29 O ATOM 262 CB THR A 17 -4.510 -12.195 2.610 1.00 0.41 C ATOM 263 OG1 THR A 17 -3.485 -12.902 1.900 1.00 0.54 O ATOM 264 CG2 THR A 17 -5.359 -13.180 3.402 1.00 0.51 C ATOM 0 H THR A 17 -6.478 -13.145 1.264 1.00 0.37 H new ATOM 0 HA THR A 17 -5.787 -10.517 2.135 1.00 0.32 H new ATOM 0 HB THR A 17 -4.050 -11.495 3.308 1.00 0.41 H new ATOM 0 HG1 THR A 17 -2.645 -12.399 1.952 1.00 0.54 H new ATOM 0 HG21 THR A 17 -4.723 -13.736 4.091 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.117 -12.636 3.966 1.00 0.51 H new ATOM 0 HG23 THR A 17 -5.846 -13.874 2.717 1.00 0.51 H new ATOM 272 N PHE A 18 -4.007 -9.683 0.711 1.00 0.27 N ATOM 273 CA PHE A 18 -3.158 -8.974 -0.218 1.00 0.25 C ATOM 274 C PHE A 18 -2.063 -8.231 0.547 1.00 0.29 C ATOM 275 O PHE A 18 -2.310 -7.659 1.606 1.00 0.59 O ATOM 276 CB PHE A 18 -4.008 -7.988 -1.012 1.00 0.32 C ATOM 277 CG PHE A 18 -4.492 -8.510 -2.335 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.370 -9.580 -2.395 1.00 0.24 C ATOM 279 CD2 PHE A 18 -4.082 -7.921 -3.518 1.00 0.38 C ATOM 280 CE1 PHE A 18 -5.829 -10.053 -3.610 1.00 0.35 C ATOM 281 CE2 PHE A 18 -4.535 -8.391 -4.735 1.00 0.46 C ATOM 282 CZ PHE A 18 -5.410 -9.458 -4.782 1.00 0.41 C ATOM 0 H PHE A 18 -4.188 -9.165 1.571 1.00 0.27 H new ATOM 0 HA PHE A 18 -2.687 -9.679 -0.903 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -4.871 -7.704 -0.410 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -3.427 -7.082 -1.183 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -5.700 -10.051 -1.481 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.400 -7.084 -3.489 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -6.514 -10.887 -3.642 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -4.205 -7.924 -5.651 1.00 0.46 H new ATOM 0 HZ PHE A 18 -5.765 -9.826 -5.733 1.00 0.41 H new ATOM 292 N TYR A 19 -0.853 -8.263 0.021 1.00 0.25 N ATOM 293 CA TYR A 19 0.281 -7.613 0.674 1.00 0.28 C ATOM 294 C TYR A 19 0.868 -6.536 -0.197 1.00 0.22 C ATOM 295 O TYR A 19 0.719 -6.588 -1.402 1.00 0.22 O ATOM 296 CB TYR A 19 1.330 -8.656 1.022 1.00 0.41 C ATOM 297 CG TYR A 19 0.888 -10.045 0.660 1.00 1.21 C ATOM 298 CD1 TYR A 19 0.888 -10.467 -0.660 1.00 1.64 C ATOM 299 CD2 TYR A 19 0.438 -10.926 1.635 1.00 1.92 C ATOM 300 CE1 TYR A 19 0.451 -11.739 -0.989 1.00 2.74 C ATOM 301 CE2 TYR A 19 0.008 -12.194 1.311 1.00 3.01 C ATOM 302 CZ TYR A 19 0.016 -12.597 -0.003 1.00 3.40 C ATOM 303 OH TYR A 19 -0.417 -13.859 -0.334 1.00 4.52 O ATOM 0 H TYR A 19 -0.624 -8.731 -0.856 1.00 0.25 H new ATOM 0 HA TYR A 19 -0.069 -7.136 1.590 1.00 0.28 H new ATOM 0 HB2 TYR A 19 2.258 -8.424 0.500 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.545 -8.611 2.090 1.00 0.41 H new ATOM 0 HD1 TYR A 19 1.231 -9.800 -1.437 1.00 1.64 H new ATOM 0 HD2 TYR A 19 0.425 -10.611 2.668 1.00 1.92 H new ATOM 0 HE1 TYR A 19 0.451 -12.059 -2.020 1.00 2.74 H new ATOM 0 HE2 TYR A 19 -0.333 -12.867 2.084 1.00 3.01 H new ATOM 0 HH TYR A 19 -0.688 -14.335 0.478 1.00 4.52 H new ATOM 313 N VAL A 20 1.525 -5.559 0.430 1.00 0.22 N ATOM 314 CA VAL A 20 2.137 -4.450 -0.290 1.00 0.22 C ATOM 315 C VAL A 20 3.345 -3.911 0.461 1.00 0.23 C ATOM 316 O VAL A 20 3.256 -3.591 1.647 1.00 0.26 O ATOM 317 CB VAL A 20 1.145 -3.291 -0.509 1.00 0.32 C ATOM 318 CG1 VAL A 20 0.921 -3.063 -1.985 1.00 0.87 C ATOM 319 CG2 VAL A 20 -0.173 -3.553 0.206 1.00 0.93 C ATOM 0 H VAL A 20 1.645 -5.517 1.442 1.00 0.22 H new ATOM 0 HA VAL A 20 2.445 -4.845 -1.258 1.00 0.22 H new ATOM 0 HB VAL A 20 1.578 -2.387 -0.082 1.00 0.32 H new ATOM 0 HG11 VAL A 20 0.218 -2.241 -2.124 1.00 0.87 H new ATOM 0 HG12 VAL A 20 1.869 -2.814 -2.463 1.00 0.87 H new ATOM 0 HG13 VAL A 20 0.514 -3.968 -2.435 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -0.853 -2.719 0.033 1.00 0.93 H new ATOM 0 HG22 VAL A 20 -0.619 -4.470 -0.178 1.00 0.93 H new ATOM 0 HG23 VAL A 20 0.008 -3.658 1.276 1.00 0.93 H new ATOM 329 N ASP A 21 4.469 -3.806 -0.236 1.00 0.22 N ATOM 330 CA ASP A 21 5.692 -3.299 0.368 1.00 0.25 C ATOM 331 C ASP A 21 6.787 -3.102 -0.680 1.00 0.23 C ATOM 332 O ASP A 21 7.065 -3.997 -1.482 1.00 0.25 O ATOM 333 CB ASP A 21 6.178 -4.261 1.452 1.00 0.28 C ATOM 334 CG ASP A 21 7.515 -3.852 2.039 1.00 0.30 C ATOM 335 OD1 ASP A 21 7.576 -2.788 2.690 1.00 0.37 O ATOM 336 OD2 ASP A 21 8.501 -4.594 1.846 1.00 0.38 O ATOM 0 H ASP A 21 4.558 -4.065 -1.219 1.00 0.22 H new ATOM 0 HA ASP A 21 5.471 -2.330 0.815 1.00 0.25 H new ATOM 0 HB2 ASP A 21 5.436 -4.310 2.249 1.00 0.28 H new ATOM 0 HB3 ASP A 21 6.261 -5.263 1.032 1.00 0.28 H new ATOM 341 N GLY A 22 7.406 -1.925 -0.670 1.00 0.22 N ATOM 342 CA GLY A 22 8.463 -1.637 -1.618 1.00 0.24 C ATOM 343 C GLY A 22 9.724 -1.112 -0.956 1.00 0.35 C ATOM 344 O GLY A 22 9.680 -0.613 0.169 1.00 0.42 O ATOM 0 H GLY A 22 7.193 -1.167 -0.022 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.701 -2.543 -2.175 1.00 0.24 H new ATOM 0 HA3 GLY A 22 8.106 -0.903 -2.341 1.00 0.24 H new ATOM 348 N ALA A 23 10.850 -1.222 -1.658 1.00 0.39 N ATOM 349 CA ALA A 23 12.128 -0.750 -1.135 1.00 0.49 C ATOM 350 C ALA A 23 12.770 0.252 -2.068 1.00 0.50 C ATOM 351 O ALA A 23 13.181 -0.070 -3.181 1.00 0.49 O ATOM 352 CB ALA A 23 13.063 -1.924 -0.887 1.00 0.57 C ATOM 0 H ALA A 23 10.902 -1.634 -2.590 1.00 0.39 H new ATOM 0 HA ALA A 23 11.937 -0.246 -0.188 1.00 0.49 H new ATOM 0 HB1 ALA A 23 14.012 -1.557 -0.497 1.00 0.57 H new ATOM 0 HB2 ALA A 23 12.611 -2.602 -0.163 1.00 0.57 H new ATOM 0 HB3 ALA A 23 13.236 -2.455 -1.823 1.00 0.57 H new ATOM 358 N ALA A 24 12.858 1.471 -1.573 1.00 0.53 N ATOM 359 CA ALA A 24 13.450 2.571 -2.292 1.00 0.55 C ATOM 360 C ALA A 24 14.256 3.416 -1.321 1.00 0.64 C ATOM 361 O ALA A 24 14.000 3.402 -0.120 1.00 0.80 O ATOM 362 CB ALA A 24 12.369 3.398 -2.963 1.00 0.49 C ATOM 0 H ALA A 24 12.514 1.724 -0.647 1.00 0.53 H new ATOM 0 HA ALA A 24 14.113 2.193 -3.070 1.00 0.55 H new ATOM 0 HB1 ALA A 24 12.827 4.226 -3.503 1.00 0.49 H new ATOM 0 HB2 ALA A 24 11.813 2.772 -3.661 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.689 3.790 -2.207 1.00 0.49 H new ATOM 368 N ASN A 25 15.237 4.127 -1.832 1.00 0.61 N ATOM 369 CA ASN A 25 16.084 4.955 -0.988 1.00 0.69 C ATOM 370 C ASN A 25 15.399 6.278 -0.626 1.00 0.69 C ATOM 371 O ASN A 25 15.022 7.057 -1.502 1.00 0.69 O ATOM 372 CB ASN A 25 17.418 5.218 -1.691 1.00 0.77 C ATOM 373 CG ASN A 25 18.185 6.375 -1.081 1.00 0.68 C ATOM 374 OD1 ASN A 25 18.847 6.225 -0.054 1.00 0.67 O ATOM 375 ND2 ASN A 25 18.101 7.538 -1.716 1.00 1.09 N ATOM 0 H ASN A 25 15.471 4.152 -2.824 1.00 0.61 H new ATOM 0 HA ASN A 25 16.266 4.416 -0.058 1.00 0.69 H new ATOM 0 HB2 ASN A 25 18.031 4.318 -1.646 1.00 0.77 H new ATOM 0 HB3 ASN A 25 17.233 5.426 -2.745 1.00 0.77 H new ATOM 0 HD21 ASN A 25 18.597 8.353 -1.355 1.00 1.09 H new ATOM 0 HD22 ASN A 25 17.540 7.616 -2.564 1.00 1.09 H new ATOM 382 N ARG A 26 15.246 6.515 0.676 1.00 0.73 N ATOM 383 CA ARG A 26 14.611 7.732 1.194 1.00 0.77 C ATOM 384 C ARG A 26 15.414 8.982 0.858 1.00 0.82 C ATOM 385 O ARG A 26 14.857 10.013 0.479 1.00 0.79 O ATOM 386 CB ARG A 26 14.485 7.638 2.707 1.00 0.87 C ATOM 387 CG ARG A 26 13.373 8.501 3.256 1.00 0.94 C ATOM 388 CD ARG A 26 12.527 7.743 4.264 1.00 1.30 C ATOM 389 NE ARG A 26 12.226 8.548 5.445 1.00 1.57 N ATOM 390 CZ ARG A 26 13.121 8.848 6.381 1.00 2.15 C ATOM 391 NH1 ARG A 26 14.372 8.422 6.269 1.00 2.86 N ATOM 392 NH2 ARG A 26 12.764 9.573 7.432 1.00 2.52 N ATOM 0 H ARG A 26 15.558 5.871 1.403 1.00 0.73 H new ATOM 0 HA ARG A 26 13.631 7.811 0.724 1.00 0.77 H new ATOM 0 HB2 ARG A 26 14.306 6.600 2.988 1.00 0.87 H new ATOM 0 HB3 ARG A 26 15.429 7.934 3.165 1.00 0.87 H new ATOM 0 HG2 ARG A 26 13.798 9.387 3.729 1.00 0.94 H new ATOM 0 HG3 ARG A 26 12.742 8.848 2.438 1.00 0.94 H new ATOM 0 HD2 ARG A 26 11.596 7.430 3.792 1.00 1.30 H new ATOM 0 HD3 ARG A 26 13.051 6.837 4.568 1.00 1.30 H new ATOM 0 HE ARG A 26 11.275 8.900 5.558 1.00 1.57 H new ATOM 0 HH11 ARG A 26 14.650 7.862 5.463 1.00 2.86 H new ATOM 0 HH12 ARG A 26 15.056 8.654 6.989 1.00 2.86 H new ATOM 0 HH21 ARG A 26 11.802 9.901 7.523 1.00 2.52 H new ATOM 0 HH22 ARG A 26 13.451 9.803 8.150 1.00 2.52 H new ATOM 406 N GLU A 27 16.723 8.873 1.029 1.00 0.93 N ATOM 407 CA GLU A 27 17.648 9.969 0.779 1.00 1.02 C ATOM 408 C GLU A 27 17.333 10.683 -0.526 1.00 0.90 C ATOM 409 O GLU A 27 17.630 11.868 -0.685 1.00 0.94 O ATOM 410 CB GLU A 27 19.067 9.406 0.738 1.00 1.15 C ATOM 411 CG GLU A 27 20.096 10.340 0.117 1.00 1.36 C ATOM 412 CD GLU A 27 21.220 9.590 -0.571 1.00 1.99 C ATOM 413 OE1 GLU A 27 20.947 8.529 -1.171 1.00 2.44 O ATOM 414 OE2 GLU A 27 22.374 10.065 -0.510 1.00 2.44 O ATOM 0 H GLU A 27 17.176 8.016 1.347 1.00 0.93 H new ATOM 0 HA GLU A 27 17.551 10.701 1.580 1.00 1.02 H new ATOM 0 HB2 GLU A 27 19.379 9.166 1.754 1.00 1.15 H new ATOM 0 HB3 GLU A 27 19.058 8.471 0.178 1.00 1.15 H new ATOM 0 HG2 GLU A 27 19.602 10.991 -0.605 1.00 1.36 H new ATOM 0 HG3 GLU A 27 20.513 10.983 0.892 1.00 1.36 H new ATOM 421 N THR A 28 16.755 9.952 -1.465 1.00 0.79 N ATOM 422 CA THR A 28 16.432 10.513 -2.762 1.00 0.69 C ATOM 423 C THR A 28 15.007 10.172 -3.201 1.00 0.56 C ATOM 424 O THR A 28 14.611 10.481 -4.325 1.00 0.49 O ATOM 425 CB THR A 28 17.426 10.002 -3.816 1.00 0.75 C ATOM 426 OG1 THR A 28 18.719 9.831 -3.223 1.00 1.41 O ATOM 427 CG2 THR A 28 17.526 10.971 -4.976 1.00 1.35 C ATOM 0 H THR A 28 16.501 8.971 -1.352 1.00 0.79 H new ATOM 0 HA THR A 28 16.503 11.597 -2.672 1.00 0.69 H new ATOM 0 HB THR A 28 17.065 9.044 -4.191 1.00 0.75 H new ATOM 0 HG1 THR A 28 19.348 9.503 -3.899 1.00 1.41 H new ATOM 0 HG21 THR A 28 18.235 10.588 -5.710 1.00 1.35 H new ATOM 0 HG22 THR A 28 16.547 11.083 -5.442 1.00 1.35 H new ATOM 0 HG23 THR A 28 17.868 11.940 -4.612 1.00 1.35 H new ATOM 435 N LYS A 29 14.244 9.530 -2.316 1.00 0.54 N ATOM 436 CA LYS A 29 12.868 9.140 -2.627 1.00 0.46 C ATOM 437 C LYS A 29 12.804 8.488 -4.001 1.00 0.37 C ATOM 438 O LYS A 29 12.244 9.049 -4.944 1.00 0.44 O ATOM 439 CB LYS A 29 11.935 10.352 -2.582 1.00 0.51 C ATOM 440 CG LYS A 29 11.974 11.107 -1.264 1.00 0.67 C ATOM 441 CD LYS A 29 12.610 12.478 -1.427 1.00 1.02 C ATOM 442 CE LYS A 29 13.136 13.010 -0.104 1.00 1.39 C ATOM 443 NZ LYS A 29 13.473 14.459 -0.182 1.00 1.56 N ATOM 0 H LYS A 29 14.554 9.269 -1.380 1.00 0.54 H new ATOM 0 HA LYS A 29 12.540 8.423 -1.875 1.00 0.46 H new ATOM 0 HB2 LYS A 29 12.202 11.034 -3.389 1.00 0.51 H new ATOM 0 HB3 LYS A 29 10.914 10.020 -2.770 1.00 0.51 H new ATOM 0 HG2 LYS A 29 10.961 11.218 -0.877 1.00 0.67 H new ATOM 0 HG3 LYS A 29 12.535 10.530 -0.529 1.00 0.67 H new ATOM 0 HD2 LYS A 29 13.427 12.418 -2.146 1.00 1.02 H new ATOM 0 HD3 LYS A 29 11.877 13.174 -1.834 1.00 1.02 H new ATOM 0 HE2 LYS A 29 12.388 12.853 0.673 1.00 1.39 H new ATOM 0 HE3 LYS A 29 14.022 12.446 0.187 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 13.828 14.783 0.740 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 14.205 14.607 -0.906 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 12.622 15.000 -0.435 1.00 1.56 H new ATOM 457 N LEU A 30 13.399 7.310 -4.109 1.00 0.43 N ATOM 458 CA LEU A 30 13.433 6.581 -5.376 1.00 0.37 C ATOM 459 C LEU A 30 13.824 5.131 -5.157 1.00 0.38 C ATOM 460 O LEU A 30 14.616 4.823 -4.272 1.00 0.44 O ATOM 461 CB LEU A 30 14.436 7.239 -6.330 1.00 0.42 C ATOM 462 CG LEU A 30 14.782 6.422 -7.580 1.00 0.48 C ATOM 463 CD1 LEU A 30 15.189 7.341 -8.722 1.00 0.52 C ATOM 464 CD2 LEU A 30 15.893 5.425 -7.274 1.00 0.68 C ATOM 0 H LEU A 30 13.866 6.835 -3.337 1.00 0.43 H new ATOM 0 HA LEU A 30 12.435 6.612 -5.812 1.00 0.37 H new ATOM 0 HB2 LEU A 30 14.035 8.202 -6.645 1.00 0.42 H new ATOM 0 HB3 LEU A 30 15.356 7.441 -5.781 1.00 0.42 H new ATOM 0 HG LEU A 30 13.895 5.867 -7.886 1.00 0.48 H new ATOM 0 HD11 LEU A 30 15.431 6.744 -9.601 1.00 0.52 H new ATOM 0 HD12 LEU A 30 14.366 8.016 -8.957 1.00 0.52 H new ATOM 0 HD13 LEU A 30 16.062 7.923 -8.427 1.00 0.52 H new ATOM 0 HD21 LEU A 30 16.126 4.853 -8.172 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.783 5.962 -6.944 1.00 0.68 H new ATOM 0 HD23 LEU A 30 15.566 4.746 -6.487 1.00 0.68 H new ATOM 476 N GLY A 31 13.283 4.247 -5.985 1.00 0.34 N ATOM 477 CA GLY A 31 13.611 2.843 -5.871 1.00 0.37 C ATOM 478 C GLY A 31 12.531 1.934 -6.411 1.00 0.30 C ATOM 479 O GLY A 31 11.949 2.201 -7.461 1.00 0.27 O ATOM 0 H GLY A 31 12.626 4.478 -6.730 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.541 2.649 -6.405 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.789 2.602 -4.823 1.00 0.37 H new ATOM 483 N LYS A 32 12.279 0.848 -5.690 1.00 0.30 N ATOM 484 CA LYS A 32 11.282 -0.133 -6.096 1.00 0.24 C ATOM 485 C LYS A 32 10.133 -0.225 -5.102 1.00 0.19 C ATOM 486 O LYS A 32 10.262 0.163 -3.940 1.00 0.23 O ATOM 487 CB LYS A 32 11.932 -1.509 -6.230 1.00 0.28 C ATOM 488 CG LYS A 32 13.356 -1.461 -6.765 1.00 0.56 C ATOM 489 CD LYS A 32 14.377 -1.657 -5.656 1.00 0.95 C ATOM 490 CE LYS A 32 15.311 -2.816 -5.962 1.00 1.44 C ATOM 491 NZ LYS A 32 15.973 -2.657 -7.287 1.00 2.12 N ATOM 0 H LYS A 32 12.755 0.624 -4.816 1.00 0.30 H new ATOM 0 HA LYS A 32 10.879 0.194 -7.055 1.00 0.24 H new ATOM 0 HB2 LYS A 32 11.935 -1.996 -5.255 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.325 -2.126 -6.893 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.487 -2.234 -7.522 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.529 -0.503 -7.255 1.00 0.56 H new ATOM 0 HD2 LYS A 32 14.958 -0.743 -5.528 1.00 0.95 H new ATOM 0 HD3 LYS A 32 13.862 -1.842 -4.713 1.00 0.95 H new ATOM 0 HE2 LYS A 32 16.070 -2.887 -5.183 1.00 1.44 H new ATOM 0 HE3 LYS A 32 14.749 -3.750 -5.946 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 16.908 -3.112 -7.265 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 15.388 -3.103 -8.023 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 16.085 -1.645 -7.500 1.00 2.12 H new ATOM 505 N ALA A 33 9.018 -0.776 -5.571 1.00 0.16 N ATOM 506 CA ALA A 33 7.838 -0.968 -4.741 1.00 0.14 C ATOM 507 C ALA A 33 6.906 -1.983 -5.381 1.00 0.14 C ATOM 508 O ALA A 33 6.400 -1.764 -6.479 1.00 0.15 O ATOM 509 CB ALA A 33 7.116 0.350 -4.514 1.00 0.16 C ATOM 0 H ALA A 33 8.909 -1.100 -6.532 1.00 0.16 H new ATOM 0 HA ALA A 33 8.158 -1.349 -3.771 1.00 0.14 H new ATOM 0 HB1 ALA A 33 6.238 0.181 -3.891 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.786 1.050 -4.015 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.806 0.765 -5.473 1.00 0.16 H new ATOM 515 N GLY A 34 6.681 -3.096 -4.696 1.00 0.17 N ATOM 516 CA GLY A 34 5.811 -4.119 -5.237 1.00 0.20 C ATOM 517 C GLY A 34 4.941 -4.751 -4.190 1.00 0.25 C ATOM 518 O GLY A 34 4.850 -4.269 -3.063 1.00 0.35 O ATOM 0 H GLY A 34 7.082 -3.307 -3.782 1.00 0.17 H new ATOM 0 HA2 GLY A 34 5.181 -3.682 -6.012 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.416 -4.890 -5.715 1.00 0.20 H new ATOM 522 N TYR A 35 4.290 -5.830 -4.576 1.00 0.20 N ATOM 523 CA TYR A 35 3.405 -6.539 -3.690 1.00 0.26 C ATOM 524 C TYR A 35 3.044 -7.877 -4.296 1.00 0.17 C ATOM 525 O TYR A 35 3.425 -8.176 -5.425 1.00 0.17 O ATOM 526 CB TYR A 35 2.146 -5.714 -3.448 1.00 0.40 C ATOM 527 CG TYR A 35 1.015 -6.022 -4.405 1.00 0.38 C ATOM 528 CD1 TYR A 35 0.969 -5.451 -5.663 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.004 -6.892 -4.046 1.00 0.31 C ATOM 530 CE1 TYR A 35 -0.061 -5.736 -6.537 1.00 0.58 C ATOM 531 CE2 TYR A 35 -1.032 -7.183 -4.912 1.00 0.39 C ATOM 532 CZ TYR A 35 -1.057 -6.602 -6.158 1.00 0.53 C ATOM 533 OH TYR A 35 -2.082 -6.887 -7.026 1.00 0.66 O ATOM 0 H TYR A 35 4.363 -6.234 -5.510 1.00 0.20 H new ATOM 0 HA TYR A 35 3.905 -6.705 -2.736 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.802 -5.886 -2.428 1.00 0.40 H new ATOM 0 HB3 TYR A 35 2.397 -4.656 -3.526 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.751 -4.771 -5.967 1.00 0.50 H new ATOM 0 HD2 TYR A 35 0.010 -7.350 -3.068 1.00 0.31 H new ATOM 0 HE1 TYR A 35 -0.083 -5.279 -7.515 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -1.816 -7.864 -4.615 1.00 0.39 H new ATOM 0 HH TYR A 35 -2.471 -6.051 -7.359 1.00 0.66 H new ATOM 543 N VAL A 36 2.288 -8.669 -3.568 1.00 0.14 N ATOM 544 CA VAL A 36 1.866 -9.953 -4.090 1.00 0.17 C ATOM 545 C VAL A 36 0.389 -10.187 -3.759 1.00 0.22 C ATOM 546 O VAL A 36 -0.168 -9.528 -2.885 1.00 0.51 O ATOM 547 CB VAL A 36 2.802 -11.106 -3.604 1.00 0.32 C ATOM 548 CG1 VAL A 36 3.466 -10.772 -2.273 1.00 1.38 C ATOM 549 CG2 VAL A 36 2.082 -12.447 -3.540 1.00 1.13 C ATOM 0 H VAL A 36 1.956 -8.453 -2.628 1.00 0.14 H new ATOM 0 HA VAL A 36 1.957 -9.948 -5.176 1.00 0.17 H new ATOM 0 HB VAL A 36 3.589 -11.201 -4.352 1.00 0.32 H new ATOM 0 HG11 VAL A 36 4.108 -11.599 -1.969 1.00 1.38 H new ATOM 0 HG12 VAL A 36 4.065 -9.868 -2.382 1.00 1.38 H new ATOM 0 HG13 VAL A 36 2.700 -10.610 -1.515 1.00 1.38 H new ATOM 0 HG21 VAL A 36 2.774 -13.216 -3.197 1.00 1.13 H new ATOM 0 HG22 VAL A 36 1.244 -12.377 -2.846 1.00 1.13 H new ATOM 0 HG23 VAL A 36 1.711 -12.709 -4.531 1.00 1.13 H new ATOM 559 N THR A 37 -0.264 -11.082 -4.488 1.00 0.28 N ATOM 560 CA THR A 37 -1.684 -11.343 -4.265 1.00 0.34 C ATOM 561 C THR A 37 -1.922 -12.794 -3.921 1.00 0.26 C ATOM 562 O THR A 37 -1.132 -13.656 -4.306 1.00 0.26 O ATOM 563 CB THR A 37 -2.533 -11.016 -5.507 1.00 0.55 C ATOM 564 OG1 THR A 37 -2.613 -12.161 -6.362 1.00 1.41 O ATOM 565 CG2 THR A 37 -1.950 -9.851 -6.281 1.00 0.88 C ATOM 0 H THR A 37 0.160 -11.636 -5.232 1.00 0.28 H new ATOM 0 HA THR A 37 -1.981 -10.699 -3.438 1.00 0.34 H new ATOM 0 HB THR A 37 -3.531 -10.740 -5.165 1.00 0.55 H new ATOM 0 HG1 THR A 37 -2.942 -11.888 -7.244 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.572 -9.645 -7.152 1.00 0.88 H new ATOM 0 HG22 THR A 37 -1.918 -8.969 -5.641 1.00 0.88 H new ATOM 0 HG23 THR A 37 -0.940 -10.100 -6.607 1.00 0.88 H new ATOM 573 N ASN A 38 -3.030 -13.068 -3.222 1.00 0.26 N ATOM 574 CA ASN A 38 -3.373 -14.442 -2.869 1.00 0.26 C ATOM 575 C ASN A 38 -3.416 -15.333 -4.119 1.00 0.31 C ATOM 576 O ASN A 38 -3.512 -16.556 -4.017 1.00 0.40 O ATOM 577 CB ASN A 38 -4.723 -14.485 -2.145 1.00 0.32 C ATOM 578 CG ASN A 38 -5.893 -14.642 -3.099 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.695 -15.567 -2.969 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.994 -13.735 -4.064 1.00 0.44 N ATOM 0 H ASN A 38 -3.693 -12.365 -2.896 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.601 -14.824 -2.201 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.724 -15.312 -1.435 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -4.850 -13.569 -1.567 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.760 -13.788 -4.736 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -5.306 -12.985 -4.133 1.00 0.44 H new ATOM 587 N ARG A 39 -3.337 -14.707 -5.300 1.00 0.32 N ATOM 588 CA ARG A 39 -3.359 -15.435 -6.570 1.00 0.43 C ATOM 589 C ARG A 39 -1.943 -15.705 -7.068 1.00 0.43 C ATOM 590 O ARG A 39 -1.742 -16.091 -8.220 1.00 0.65 O ATOM 591 CB ARG A 39 -4.119 -14.635 -7.631 1.00 0.51 C ATOM 592 CG ARG A 39 -5.409 -14.012 -7.124 1.00 0.55 C ATOM 593 CD ARG A 39 -5.729 -12.719 -7.859 1.00 0.61 C ATOM 594 NE ARG A 39 -6.864 -12.870 -8.767 1.00 1.05 N ATOM 595 CZ ARG A 39 -8.133 -12.811 -8.376 1.00 1.22 C ATOM 596 NH1 ARG A 39 -8.430 -12.609 -7.099 1.00 1.88 N ATOM 597 NH2 ARG A 39 -9.108 -12.954 -9.263 1.00 1.58 N ATOM 0 H ARG A 39 -3.257 -13.695 -5.400 1.00 0.32 H new ATOM 0 HA ARG A 39 -3.863 -16.386 -6.398 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -3.470 -13.846 -8.011 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -4.349 -15.290 -8.471 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -6.230 -14.717 -7.252 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -5.323 -13.813 -6.056 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -5.947 -11.935 -7.134 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -4.854 -12.397 -8.423 1.00 0.61 H new ATOM 0 HE ARG A 39 -6.672 -13.030 -9.756 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -7.683 -12.498 -6.413 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -9.405 -12.564 -6.803 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -8.884 -13.109 -10.246 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -10.082 -12.909 -8.962 1.00 1.58 H new ATOM 611 N GLY A 40 -0.965 -15.493 -6.196 1.00 0.37 N ATOM 612 CA GLY A 40 0.420 -15.710 -6.565 1.00 0.38 C ATOM 613 C GLY A 40 0.940 -14.664 -7.534 1.00 0.33 C ATOM 614 O GLY A 40 1.704 -14.983 -8.444 1.00 0.37 O ATOM 0 H GLY A 40 -1.107 -15.174 -5.238 1.00 0.37 H new ATOM 0 HA2 GLY A 40 1.036 -15.704 -5.666 1.00 0.38 H new ATOM 0 HA3 GLY A 40 0.521 -16.698 -7.015 1.00 0.38 H new ATOM 618 N ARG A 41 0.533 -13.409 -7.338 1.00 0.28 N ATOM 619 CA ARG A 41 0.980 -12.321 -8.206 1.00 0.25 C ATOM 620 C ARG A 41 2.108 -11.550 -7.541 1.00 0.26 C ATOM 621 O ARG A 41 2.232 -11.569 -6.327 1.00 0.54 O ATOM 622 CB ARG A 41 -0.186 -11.374 -8.529 1.00 0.29 C ATOM 623 CG ARG A 41 0.211 -9.912 -8.773 1.00 0.29 C ATOM 624 CD ARG A 41 -0.740 -9.243 -9.758 1.00 0.40 C ATOM 625 NE ARG A 41 -1.870 -10.101 -10.115 1.00 0.97 N ATOM 626 CZ ARG A 41 -2.228 -10.369 -11.367 1.00 1.06 C ATOM 627 NH1 ARG A 41 -1.546 -9.852 -12.381 1.00 1.54 N ATOM 628 NH2 ARG A 41 -3.268 -11.155 -11.608 1.00 1.61 N ATOM 0 H ARG A 41 -0.101 -13.123 -6.592 1.00 0.28 H new ATOM 0 HA ARG A 41 1.346 -12.752 -9.138 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.702 -11.747 -9.414 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -0.900 -11.408 -7.706 1.00 0.29 H new ATOM 0 HG2 ARG A 41 0.204 -9.367 -7.829 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.229 -9.868 -9.159 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -1.115 -8.316 -9.324 1.00 0.40 H new ATOM 0 HD3 ARG A 41 -0.192 -8.974 -10.661 1.00 0.40 H new ATOM 0 HE ARG A 41 -2.415 -10.518 -9.360 1.00 0.97 H new ATOM 0 HH11 ARG A 41 -0.745 -9.247 -12.201 1.00 1.54 H new ATOM 0 HH12 ARG A 41 -1.823 -10.059 -13.340 1.00 1.54 H new ATOM 0 HH21 ARG A 41 -3.795 -11.555 -10.832 1.00 1.61 H new ATOM 0 HH22 ARG A 41 -3.541 -11.359 -12.569 1.00 1.61 H new ATOM 642 N GLN A 42 2.919 -10.863 -8.332 1.00 0.26 N ATOM 643 CA GLN A 42 4.014 -10.075 -7.787 1.00 0.27 C ATOM 644 C GLN A 42 4.255 -8.845 -8.650 1.00 0.28 C ATOM 645 O GLN A 42 4.613 -8.965 -9.822 1.00 0.32 O ATOM 646 CB GLN A 42 5.290 -10.915 -7.705 1.00 0.34 C ATOM 647 CG GLN A 42 5.680 -11.290 -6.285 1.00 0.76 C ATOM 648 CD GLN A 42 5.958 -12.773 -6.129 1.00 0.89 C ATOM 649 OE1 GLN A 42 6.934 -13.293 -6.672 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.101 -13.461 -5.385 1.00 1.37 N ATOM 0 H GLN A 42 2.840 -10.835 -9.349 1.00 0.26 H new ATOM 0 HA GLN A 42 3.742 -9.755 -6.781 1.00 0.27 H new ATOM 0 HB2 GLN A 42 5.154 -11.826 -8.288 1.00 0.34 H new ATOM 0 HB3 GLN A 42 6.109 -10.362 -8.164 1.00 0.34 H new ATOM 0 HG2 GLN A 42 6.566 -10.725 -5.994 1.00 0.76 H new ATOM 0 HG3 GLN A 42 4.880 -11.000 -5.604 1.00 0.76 H new ATOM 0 HE21 GLN A 42 4.306 -12.989 -4.954 1.00 1.37 H new ATOM 0 HE22 GLN A 42 5.237 -14.462 -5.244 1.00 1.37 H new ATOM 659 N LYS A 43 4.064 -7.660 -8.072 1.00 0.33 N ATOM 660 CA LYS A 43 4.279 -6.429 -8.834 1.00 0.38 C ATOM 661 C LYS A 43 5.486 -5.671 -8.348 1.00 0.27 C ATOM 662 O LYS A 43 6.085 -6.005 -7.326 1.00 0.20 O ATOM 663 CB LYS A 43 3.079 -5.488 -8.773 1.00 0.53 C ATOM 664 CG LYS A 43 1.752 -6.166 -8.989 1.00 0.36 C ATOM 665 CD LYS A 43 1.748 -7.046 -10.230 1.00 0.39 C ATOM 666 CE LYS A 43 1.136 -6.325 -11.421 1.00 0.57 C ATOM 667 NZ LYS A 43 0.024 -7.102 -12.032 1.00 1.77 N ATOM 0 H LYS A 43 3.769 -7.525 -7.105 1.00 0.33 H new ATOM 0 HA LYS A 43 4.432 -6.754 -9.863 1.00 0.38 H new ATOM 0 HB2 LYS A 43 3.068 -4.994 -7.802 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.203 -4.709 -9.526 1.00 0.53 H new ATOM 0 HG2 LYS A 43 1.510 -6.772 -8.116 1.00 0.36 H new ATOM 0 HG3 LYS A 43 0.971 -5.411 -9.079 1.00 0.36 H new ATOM 0 HD2 LYS A 43 2.769 -7.345 -10.469 1.00 0.39 H new ATOM 0 HD3 LYS A 43 1.188 -7.959 -10.028 1.00 0.39 H new ATOM 0 HE2 LYS A 43 0.765 -5.350 -11.103 1.00 0.57 H new ATOM 0 HE3 LYS A 43 1.907 -6.144 -12.170 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 -0.320 -6.608 -12.880 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 0.366 -8.048 -12.297 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 -0.753 -7.194 -11.346 1.00 1.77 H new ATOM 681 N VAL A 44 5.809 -4.628 -9.096 1.00 0.34 N ATOM 682 CA VAL A 44 6.926 -3.760 -8.776 1.00 0.28 C ATOM 683 C VAL A 44 6.783 -2.407 -9.475 1.00 0.32 C ATOM 684 O VAL A 44 6.230 -2.326 -10.572 1.00 0.46 O ATOM 685 CB VAL A 44 8.279 -4.393 -9.165 1.00 0.37 C ATOM 686 CG1 VAL A 44 8.886 -5.131 -7.983 1.00 1.34 C ATOM 687 CG2 VAL A 44 8.116 -5.323 -10.358 1.00 1.47 C ATOM 0 H VAL A 44 5.303 -4.361 -9.941 1.00 0.34 H new ATOM 0 HA VAL A 44 6.911 -3.616 -7.696 1.00 0.28 H new ATOM 0 HB VAL A 44 8.961 -3.592 -9.451 1.00 0.37 H new ATOM 0 HG11 VAL A 44 9.839 -5.570 -8.278 1.00 1.34 H new ATOM 0 HG12 VAL A 44 9.047 -4.433 -7.162 1.00 1.34 H new ATOM 0 HG13 VAL A 44 8.208 -5.921 -7.660 1.00 1.34 H new ATOM 0 HG21 VAL A 44 9.082 -5.758 -10.615 1.00 1.47 H new ATOM 0 HG22 VAL A 44 7.415 -6.119 -10.106 1.00 1.47 H new ATOM 0 HG23 VAL A 44 7.734 -4.759 -11.209 1.00 1.47 H new ATOM 697 N VAL A 45 7.289 -1.348 -8.841 1.00 0.21 N ATOM 698 CA VAL A 45 7.220 0.002 -9.405 1.00 0.26 C ATOM 699 C VAL A 45 8.388 0.855 -8.921 1.00 0.23 C ATOM 700 O VAL A 45 9.152 0.435 -8.054 1.00 0.27 O ATOM 701 CB VAL A 45 5.907 0.725 -9.020 1.00 0.30 C ATOM 702 CG1 VAL A 45 4.691 -0.118 -9.368 1.00 0.50 C ATOM 703 CG2 VAL A 45 5.907 1.086 -7.540 1.00 0.33 C ATOM 0 H VAL A 45 7.753 -1.399 -7.934 1.00 0.21 H new ATOM 0 HA VAL A 45 7.260 -0.117 -10.488 1.00 0.26 H new ATOM 0 HB VAL A 45 5.850 1.646 -9.600 1.00 0.30 H new ATOM 0 HG11 VAL A 45 3.784 0.417 -9.085 1.00 0.50 H new ATOM 0 HG12 VAL A 45 4.678 -0.313 -10.440 1.00 0.50 H new ATOM 0 HG13 VAL A 45 4.737 -1.064 -8.828 1.00 0.50 H new ATOM 0 HG21 VAL A 45 4.976 1.593 -7.289 1.00 0.33 H new ATOM 0 HG22 VAL A 45 5.997 0.178 -6.944 1.00 0.33 H new ATOM 0 HG23 VAL A 45 6.748 1.745 -7.326 1.00 0.33 H new ATOM 713 N THR A 46 8.502 2.064 -9.464 1.00 0.29 N ATOM 714 CA THR A 46 9.559 2.982 -9.059 1.00 0.27 C ATOM 715 C THR A 46 8.970 4.176 -8.326 1.00 0.26 C ATOM 716 O THR A 46 7.966 4.745 -8.754 1.00 0.31 O ATOM 717 CB THR A 46 10.391 3.494 -10.246 1.00 0.33 C ATOM 718 OG1 THR A 46 9.569 4.277 -11.122 1.00 0.39 O ATOM 719 CG2 THR A 46 11.010 2.338 -11.019 1.00 0.39 C ATOM 0 H THR A 46 7.877 2.429 -10.183 1.00 0.29 H new ATOM 0 HA THR A 46 10.220 2.417 -8.402 1.00 0.27 H new ATOM 0 HB THR A 46 11.195 4.115 -9.852 1.00 0.33 H new ATOM 0 HG1 THR A 46 10.108 4.600 -11.874 1.00 0.39 H new ATOM 0 HG21 THR A 46 11.593 2.729 -11.853 1.00 0.39 H new ATOM 0 HG22 THR A 46 11.661 1.765 -10.358 1.00 0.39 H new ATOM 0 HG23 THR A 46 10.220 1.691 -11.400 1.00 0.39 H new ATOM 727 N LEU A 47 9.594 4.541 -7.217 1.00 0.22 N ATOM 728 CA LEU A 47 9.119 5.665 -6.418 1.00 0.24 C ATOM 729 C LEU A 47 9.742 6.981 -6.865 1.00 0.29 C ATOM 730 O LEU A 47 10.952 7.079 -7.061 1.00 0.36 O ATOM 731 CB LEU A 47 9.399 5.417 -4.934 1.00 0.35 C ATOM 732 CG LEU A 47 8.569 4.299 -4.288 1.00 0.52 C ATOM 733 CD1 LEU A 47 7.206 4.159 -4.956 1.00 0.74 C ATOM 734 CD2 LEU A 47 9.329 2.986 -4.347 1.00 1.31 C ATOM 0 H LEU A 47 10.426 4.080 -6.849 1.00 0.22 H new ATOM 0 HA LEU A 47 8.042 5.746 -6.569 1.00 0.24 H new ATOM 0 HB2 LEU A 47 10.456 5.177 -4.816 1.00 0.35 H new ATOM 0 HB3 LEU A 47 9.219 6.343 -4.388 1.00 0.35 H new ATOM 0 HG LEU A 47 8.398 4.564 -3.245 1.00 0.52 H new ATOM 0 HD11 LEU A 47 6.645 3.359 -4.474 1.00 0.74 H new ATOM 0 HD12 LEU A 47 6.656 5.096 -4.861 1.00 0.74 H new ATOM 0 HD13 LEU A 47 7.341 3.923 -6.012 1.00 0.74 H new ATOM 0 HD21 LEU A 47 8.732 2.199 -3.886 1.00 1.31 H new ATOM 0 HD22 LEU A 47 9.529 2.728 -5.387 1.00 1.31 H new ATOM 0 HD23 LEU A 47 10.272 3.087 -3.810 1.00 1.31 H new ATOM 746 N THR A 48 8.891 7.990 -7.018 1.00 0.29 N ATOM 747 CA THR A 48 9.322 9.316 -7.434 1.00 0.38 C ATOM 748 C THR A 48 8.578 10.384 -6.642 1.00 0.37 C ATOM 749 O THR A 48 7.351 10.469 -6.706 1.00 0.37 O ATOM 750 CB THR A 48 9.082 9.541 -8.937 1.00 0.46 C ATOM 751 OG1 THR A 48 8.504 8.367 -9.521 1.00 0.52 O ATOM 752 CG2 THR A 48 10.385 9.878 -9.649 1.00 0.60 C ATOM 0 H THR A 48 7.887 7.910 -6.857 1.00 0.29 H new ATOM 0 HA THR A 48 10.392 9.389 -7.239 1.00 0.38 H new ATOM 0 HB THR A 48 8.396 10.380 -9.052 1.00 0.46 H new ATOM 0 HG1 THR A 48 8.352 8.518 -10.477 1.00 0.52 H new ATOM 0 HG21 THR A 48 10.190 10.033 -10.710 1.00 0.60 H new ATOM 0 HG22 THR A 48 10.809 10.787 -9.222 1.00 0.60 H new ATOM 0 HG23 THR A 48 11.090 9.056 -9.526 1.00 0.60 H new ATOM 760 N ASP A 49 9.322 11.186 -5.886 1.00 0.40 N ATOM 761 CA ASP A 49 8.729 12.239 -5.067 1.00 0.42 C ATOM 762 C ASP A 49 7.817 11.634 -4.002 1.00 0.39 C ATOM 763 O ASP A 49 6.922 12.300 -3.479 1.00 0.48 O ATOM 764 CB ASP A 49 7.945 13.226 -5.938 1.00 0.45 C ATOM 765 CG ASP A 49 7.913 14.624 -5.347 1.00 1.01 C ATOM 766 OD1 ASP A 49 8.982 15.114 -4.926 1.00 1.01 O ATOM 767 OD2 ASP A 49 6.821 15.226 -5.307 1.00 1.86 O ATOM 0 H ASP A 49 10.338 11.127 -5.823 1.00 0.40 H new ATOM 0 HA ASP A 49 9.534 12.781 -4.572 1.00 0.42 H new ATOM 0 HB2 ASP A 49 8.393 13.265 -6.931 1.00 0.45 H new ATOM 0 HB3 ASP A 49 6.924 12.864 -6.063 1.00 0.45 H new ATOM 772 N THR A 50 8.060 10.364 -3.687 1.00 0.33 N ATOM 773 CA THR A 50 7.275 9.649 -2.684 1.00 0.30 C ATOM 774 C THR A 50 8.165 9.184 -1.536 1.00 0.35 C ATOM 775 O THR A 50 9.213 8.578 -1.763 1.00 0.45 O ATOM 776 CB THR A 50 6.568 8.425 -3.297 1.00 0.25 C ATOM 777 OG1 THR A 50 7.533 7.428 -3.656 1.00 0.73 O ATOM 778 CG2 THR A 50 5.763 8.825 -4.523 1.00 0.56 C ATOM 0 H THR A 50 8.799 9.806 -4.115 1.00 0.33 H new ATOM 0 HA THR A 50 6.523 10.342 -2.307 1.00 0.30 H new ATOM 0 HB THR A 50 5.886 8.016 -2.551 1.00 0.25 H new ATOM 0 HG1 THR A 50 8.362 7.580 -3.156 1.00 0.73 H new ATOM 0 HG21 THR A 50 5.273 7.945 -4.939 1.00 0.56 H new ATOM 0 HG22 THR A 50 5.010 9.560 -4.240 1.00 0.56 H new ATOM 0 HG23 THR A 50 6.429 9.257 -5.270 1.00 0.56 H new ATOM 786 N THR A 51 7.752 9.469 -0.302 1.00 0.41 N ATOM 787 CA THR A 51 8.537 9.069 0.860 1.00 0.48 C ATOM 788 C THR A 51 8.301 7.605 1.214 1.00 0.35 C ATOM 789 O THR A 51 7.591 6.894 0.510 1.00 0.33 O ATOM 790 CB THR A 51 8.249 9.928 2.100 1.00 0.64 C ATOM 791 OG1 THR A 51 7.291 10.945 1.792 1.00 0.63 O ATOM 792 CG2 THR A 51 9.526 10.573 2.616 1.00 0.84 C ATOM 0 H THR A 51 6.890 9.969 -0.084 1.00 0.41 H new ATOM 0 HA THR A 51 9.578 9.219 0.573 1.00 0.48 H new ATOM 0 HB THR A 51 7.844 9.276 2.874 1.00 0.64 H new ATOM 0 HG1 THR A 51 7.116 11.483 2.592 1.00 0.63 H new ATOM 0 HG21 THR A 51 9.299 11.177 3.495 1.00 0.84 H new ATOM 0 HG22 THR A 51 10.243 9.797 2.884 1.00 0.84 H new ATOM 0 HG23 THR A 51 9.952 11.208 1.839 1.00 0.84 H new ATOM 800 N ASN A 52 8.929 7.170 2.304 1.00 0.30 N ATOM 801 CA ASN A 52 8.838 5.790 2.768 1.00 0.26 C ATOM 802 C ASN A 52 7.397 5.281 2.803 1.00 0.19 C ATOM 803 O ASN A 52 7.073 4.283 2.163 1.00 0.20 O ATOM 804 CB ASN A 52 9.500 5.668 4.147 1.00 0.29 C ATOM 805 CG ASN A 52 8.589 5.084 5.201 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.594 3.878 5.451 1.00 0.71 O ATOM 807 ND2 ASN A 52 7.796 5.943 5.822 1.00 0.80 N ATOM 0 H ASN A 52 9.515 7.765 2.890 1.00 0.30 H new ATOM 0 HA ASN A 52 9.369 5.159 2.055 1.00 0.26 H new ATOM 0 HB2 ASN A 52 10.390 5.044 4.061 1.00 0.29 H new ATOM 0 HB3 ASN A 52 9.832 6.654 4.471 1.00 0.29 H new ATOM 0 HD21 ASN A 52 7.153 5.614 6.542 1.00 0.80 H new ATOM 0 HD22 ASN A 52 7.828 6.933 5.580 1.00 0.80 H new ATOM 814 N GLN A 53 6.537 5.961 3.546 1.00 0.17 N ATOM 815 CA GLN A 53 5.143 5.556 3.643 1.00 0.20 C ATOM 816 C GLN A 53 4.462 5.673 2.285 1.00 0.24 C ATOM 817 O GLN A 53 3.516 4.944 1.983 1.00 0.34 O ATOM 818 CB GLN A 53 4.409 6.411 4.672 1.00 0.27 C ATOM 819 CG GLN A 53 4.816 6.133 6.111 1.00 0.89 C ATOM 820 CD GLN A 53 5.213 7.395 6.856 1.00 1.75 C ATOM 821 OE1 GLN A 53 6.388 7.751 6.921 1.00 2.48 O ATOM 822 NE2 GLN A 53 4.231 8.079 7.426 1.00 1.81 N ATOM 0 H GLN A 53 6.778 6.791 4.088 1.00 0.17 H new ATOM 0 HA GLN A 53 5.109 4.515 3.965 1.00 0.20 H new ATOM 0 HB2 GLN A 53 4.590 7.463 4.451 1.00 0.27 H new ATOM 0 HB3 GLN A 53 3.337 6.244 4.570 1.00 0.27 H new ATOM 0 HG2 GLN A 53 3.989 5.652 6.633 1.00 0.89 H new ATOM 0 HG3 GLN A 53 5.650 5.432 6.120 1.00 0.89 H new ATOM 0 HE21 GLN A 53 3.269 7.750 7.349 1.00 1.81 H new ATOM 0 HE22 GLN A 53 4.438 8.934 7.942 1.00 1.81 H new ATOM 831 N LYS A 54 4.956 6.601 1.475 1.00 0.20 N ATOM 832 CA LYS A 54 4.411 6.836 0.146 1.00 0.27 C ATOM 833 C LYS A 54 4.847 5.750 -0.833 1.00 0.24 C ATOM 834 O LYS A 54 4.155 5.481 -1.809 1.00 0.27 O ATOM 835 CB LYS A 54 4.819 8.213 -0.376 1.00 0.34 C ATOM 836 CG LYS A 54 3.942 9.343 0.146 1.00 0.50 C ATOM 837 CD LYS A 54 4.586 10.067 1.317 1.00 0.80 C ATOM 838 CE LYS A 54 4.316 9.360 2.632 1.00 0.61 C ATOM 839 NZ LYS A 54 4.357 10.303 3.783 1.00 1.52 N ATOM 0 H LYS A 54 5.739 7.207 1.719 1.00 0.20 H new ATOM 0 HA LYS A 54 3.325 6.803 0.228 1.00 0.27 H new ATOM 0 HB2 LYS A 54 5.854 8.407 -0.095 1.00 0.34 H new ATOM 0 HB3 LYS A 54 4.780 8.206 -1.465 1.00 0.34 H new ATOM 0 HG2 LYS A 54 3.749 10.053 -0.658 1.00 0.50 H new ATOM 0 HG3 LYS A 54 2.977 8.941 0.454 1.00 0.50 H new ATOM 0 HD2 LYS A 54 5.662 10.136 1.155 1.00 0.80 H new ATOM 0 HD3 LYS A 54 4.206 11.087 1.368 1.00 0.80 H new ATOM 0 HE2 LYS A 54 3.340 8.877 2.592 1.00 0.61 H new ATOM 0 HE3 LYS A 54 5.055 8.573 2.780 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 5.087 9.996 4.457 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 4.582 11.259 3.441 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 3.431 10.314 4.256 1.00 1.52 H new ATOM 853 N THR A 55 5.986 5.114 -0.560 1.00 0.21 N ATOM 854 CA THR A 55 6.469 4.041 -1.419 1.00 0.23 C ATOM 855 C THR A 55 5.516 2.877 -1.297 1.00 0.19 C ATOM 856 O THR A 55 5.183 2.207 -2.275 1.00 0.21 O ATOM 857 CB THR A 55 7.886 3.576 -1.043 1.00 0.29 C ATOM 858 OG1 THR A 55 7.867 2.893 0.215 1.00 0.30 O ATOM 859 CG2 THR A 55 8.836 4.756 -0.970 1.00 0.34 C ATOM 0 H THR A 55 6.583 5.322 0.240 1.00 0.21 H new ATOM 0 HA THR A 55 6.515 4.417 -2.441 1.00 0.23 H new ATOM 0 HB THR A 55 8.235 2.892 -1.817 1.00 0.29 H new ATOM 0 HG1 THR A 55 7.752 3.544 0.939 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.833 4.405 -0.703 1.00 0.34 H new ATOM 0 HG22 THR A 55 8.874 5.253 -1.939 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.485 5.460 -0.215 1.00 0.34 H new ATOM 867 N GLU A 56 5.047 2.684 -0.075 1.00 0.16 N ATOM 868 CA GLU A 56 4.085 1.650 0.226 1.00 0.18 C ATOM 869 C GLU A 56 2.718 2.138 -0.214 1.00 0.18 C ATOM 870 O GLU A 56 1.823 1.351 -0.502 1.00 0.22 O ATOM 871 CB GLU A 56 4.095 1.332 1.718 1.00 0.19 C ATOM 872 CG GLU A 56 5.397 1.716 2.404 1.00 0.21 C ATOM 873 CD GLU A 56 6.335 0.538 2.585 1.00 0.39 C ATOM 874 OE1 GLU A 56 5.955 -0.590 2.206 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.452 0.744 3.106 1.00 0.65 O ATOM 0 H GLU A 56 5.326 3.242 0.732 1.00 0.16 H new ATOM 0 HA GLU A 56 4.338 0.732 -0.305 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.270 1.856 2.200 1.00 0.19 H new ATOM 0 HB3 GLU A 56 3.920 0.265 1.857 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.898 2.487 1.818 1.00 0.21 H new ATOM 0 HG3 GLU A 56 5.175 2.151 3.379 1.00 0.21 H new ATOM 882 N LEU A 57 2.588 3.465 -0.287 1.00 0.18 N ATOM 883 CA LEU A 57 1.355 4.102 -0.725 1.00 0.22 C ATOM 884 C LEU A 57 1.154 3.835 -2.207 1.00 0.23 C ATOM 885 O LEU A 57 0.063 3.472 -2.646 1.00 0.29 O ATOM 886 CB LEU A 57 1.411 5.611 -0.472 1.00 0.25 C ATOM 887 CG LEU A 57 0.093 6.259 -0.046 1.00 0.42 C ATOM 888 CD1 LEU A 57 -0.961 6.078 -1.120 1.00 0.99 C ATOM 889 CD2 LEU A 57 -0.387 5.678 1.270 1.00 1.24 C ATOM 0 H LEU A 57 3.332 4.120 -0.045 1.00 0.18 H new ATOM 0 HA LEU A 57 0.520 3.689 -0.159 1.00 0.22 H new ATOM 0 HB2 LEU A 57 2.156 5.804 0.299 1.00 0.25 H new ATOM 0 HB3 LEU A 57 1.759 6.101 -1.381 1.00 0.25 H new ATOM 0 HG LEU A 57 0.266 7.326 0.092 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -1.892 6.546 -0.799 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -0.621 6.544 -2.045 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -1.129 5.014 -1.289 1.00 0.99 H new ATOM 0 HD21 LEU A 57 -1.326 6.152 1.556 1.00 1.24 H new ATOM 0 HD22 LEU A 57 -0.541 4.605 1.159 1.00 1.24 H new ATOM 0 HD23 LEU A 57 0.361 5.859 2.042 1.00 1.24 H new ATOM 901 N GLN A 58 2.231 3.989 -2.974 1.00 0.20 N ATOM 902 CA GLN A 58 2.183 3.732 -4.399 1.00 0.20 C ATOM 903 C GLN A 58 1.947 2.242 -4.606 1.00 0.20 C ATOM 904 O GLN A 58 1.015 1.826 -5.302 1.00 0.22 O ATOM 905 CB GLN A 58 3.486 4.169 -5.078 1.00 0.20 C ATOM 906 CG GLN A 58 3.587 3.743 -6.538 1.00 0.22 C ATOM 907 CD GLN A 58 2.347 4.098 -7.339 1.00 0.23 C ATOM 908 OE1 GLN A 58 2.123 5.260 -7.677 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.533 3.092 -7.650 1.00 0.24 N ATOM 0 H GLN A 58 3.142 4.290 -2.628 1.00 0.20 H new ATOM 0 HA GLN A 58 1.373 4.306 -4.849 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.571 5.254 -5.018 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.330 3.753 -4.528 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.456 4.219 -6.992 1.00 0.22 H new ATOM 0 HG3 GLN A 58 3.751 2.667 -6.588 1.00 0.22 H new ATOM 0 HE21 GLN A 58 1.757 2.143 -7.350 1.00 0.24 H new ATOM 0 HE22 GLN A 58 0.685 3.270 -8.189 1.00 0.24 H new ATOM 918 N ALA A 59 2.783 1.440 -3.950 1.00 0.21 N ATOM 919 CA ALA A 59 2.653 -0.001 -4.015 1.00 0.21 C ATOM 920 C ALA A 59 1.245 -0.391 -3.600 1.00 0.19 C ATOM 921 O ALA A 59 0.655 -1.316 -4.157 1.00 0.20 O ATOM 922 CB ALA A 59 3.686 -0.673 -3.121 1.00 0.24 C ATOM 0 H ALA A 59 3.554 1.770 -3.370 1.00 0.21 H new ATOM 0 HA ALA A 59 2.832 -0.336 -5.037 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.572 -1.755 -3.183 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.687 -0.394 -3.449 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.539 -0.352 -2.090 1.00 0.24 H new ATOM 928 N ILE A 60 0.703 0.348 -2.628 1.00 0.20 N ATOM 929 CA ILE A 60 -0.654 0.102 -2.144 1.00 0.21 C ATOM 930 C ILE A 60 -1.609 0.055 -3.328 1.00 0.20 C ATOM 931 O ILE A 60 -2.394 -0.882 -3.473 1.00 0.21 O ATOM 932 CB ILE A 60 -1.119 1.195 -1.141 1.00 0.25 C ATOM 933 CG1 ILE A 60 -0.920 0.712 0.294 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.577 1.571 -1.367 1.00 0.43 C ATOM 935 CD1 ILE A 60 -0.644 1.830 1.277 1.00 0.67 C ATOM 0 H ILE A 60 1.183 1.119 -2.163 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.656 -0.852 -1.617 1.00 0.21 H new ATOM 0 HB ILE A 60 -0.511 2.084 -1.309 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -1.811 0.171 0.613 1.00 0.19 H new ATOM 0 HG13 ILE A 60 -0.091 0.005 0.319 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -2.871 2.337 -0.650 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -2.701 1.955 -2.379 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.205 0.690 -1.234 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -0.513 1.413 2.275 1.00 0.67 H new ATOM 0 HD12 ILE A 60 0.263 2.358 0.983 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -1.483 2.526 1.282 1.00 0.67 H new ATOM 947 N TYR A 61 -1.511 1.069 -4.179 1.00 0.22 N ATOM 948 CA TYR A 61 -2.336 1.156 -5.376 1.00 0.24 C ATOM 949 C TYR A 61 -2.281 -0.157 -6.145 1.00 0.25 C ATOM 950 O TYR A 61 -3.275 -0.588 -6.728 1.00 0.27 O ATOM 951 CB TYR A 61 -1.847 2.321 -6.246 1.00 0.27 C ATOM 952 CG TYR A 61 -2.059 2.148 -7.740 1.00 0.22 C ATOM 953 CD1 TYR A 61 -1.187 1.371 -8.493 1.00 0.26 C ATOM 954 CD2 TYR A 61 -3.142 2.738 -8.391 1.00 0.24 C ATOM 955 CE1 TYR A 61 -1.381 1.191 -9.850 1.00 0.30 C ATOM 956 CE2 TYR A 61 -3.342 2.556 -9.746 1.00 0.27 C ATOM 957 CZ TYR A 61 -2.439 1.880 -10.485 1.00 0.30 C ATOM 958 OH TYR A 61 -2.657 1.601 -11.820 1.00 0.38 O ATOM 0 H TYR A 61 -0.863 1.848 -4.060 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.373 1.339 -5.094 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.356 3.230 -5.926 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -0.783 2.469 -6.061 1.00 0.27 H new ATOM 0 HD1 TYR A 61 -0.344 0.900 -8.010 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.834 3.346 -7.828 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.735 0.535 -10.415 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -4.227 2.958 -10.216 1.00 0.27 H new ATOM 0 HH TYR A 61 -3.411 2.135 -12.147 1.00 0.38 H new ATOM 968 N LEU A 62 -1.111 -0.794 -6.136 1.00 0.25 N ATOM 969 CA LEU A 62 -0.942 -2.065 -6.833 1.00 0.26 C ATOM 970 C LEU A 62 -1.754 -3.160 -6.149 1.00 0.25 C ATOM 971 O LEU A 62 -2.528 -3.864 -6.798 1.00 0.28 O ATOM 972 CB LEU A 62 0.531 -2.470 -6.896 1.00 0.30 C ATOM 973 CG LEU A 62 1.516 -1.333 -7.167 1.00 0.54 C ATOM 974 CD1 LEU A 62 2.941 -1.787 -6.895 1.00 0.55 C ATOM 975 CD2 LEU A 62 1.379 -0.842 -8.601 1.00 0.91 C ATOM 0 H LEU A 62 -0.276 -0.455 -5.659 1.00 0.25 H new ATOM 0 HA LEU A 62 -1.305 -1.936 -7.853 1.00 0.26 H new ATOM 0 HB2 LEU A 62 0.800 -2.943 -5.952 1.00 0.30 H new ATOM 0 HB3 LEU A 62 0.650 -3.223 -7.675 1.00 0.30 H new ATOM 0 HG LEU A 62 1.283 -0.507 -6.495 1.00 0.54 H new ATOM 0 HD11 LEU A 62 3.629 -0.965 -7.093 1.00 0.55 H new ATOM 0 HD12 LEU A 62 3.033 -2.094 -5.853 1.00 0.55 H new ATOM 0 HD13 LEU A 62 3.185 -2.628 -7.544 1.00 0.55 H new ATOM 0 HD21 LEU A 62 2.087 -0.032 -8.778 1.00 0.91 H new ATOM 0 HD22 LEU A 62 1.587 -1.662 -9.288 1.00 0.91 H new ATOM 0 HD23 LEU A 62 0.365 -0.479 -8.766 1.00 0.91 H new ATOM 987 N ALA A 63 -1.583 -3.295 -4.830 1.00 0.25 N ATOM 988 CA ALA A 63 -2.318 -4.298 -4.063 1.00 0.29 C ATOM 989 C ALA A 63 -3.803 -4.166 -4.338 1.00 0.23 C ATOM 990 O ALA A 63 -4.569 -5.122 -4.227 1.00 0.29 O ATOM 991 CB ALA A 63 -2.052 -4.141 -2.574 1.00 0.41 C ATOM 0 H ALA A 63 -0.945 -2.724 -4.276 1.00 0.25 H new ATOM 0 HA ALA A 63 -1.978 -5.287 -4.371 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.610 -4.898 -2.023 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -0.986 -4.262 -2.380 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -2.369 -3.150 -2.250 1.00 0.41 H new ATOM 997 N LEU A 64 -4.191 -2.955 -4.700 1.00 0.19 N ATOM 998 CA LEU A 64 -5.581 -2.645 -5.003 1.00 0.22 C ATOM 999 C LEU A 64 -5.914 -2.955 -6.460 1.00 0.27 C ATOM 1000 O LEU A 64 -7.037 -3.342 -6.782 1.00 0.43 O ATOM 1001 CB LEU A 64 -5.856 -1.172 -4.711 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.271 -0.866 -3.274 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.362 0.190 -2.672 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.718 -0.412 -3.230 1.00 0.42 C ATOM 0 H LEU A 64 -3.557 -2.162 -4.792 1.00 0.19 H new ATOM 0 HA LEU A 64 -6.214 -3.269 -4.372 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -4.960 -0.597 -4.945 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.642 -0.825 -5.382 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.176 -1.777 -2.683 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -5.672 0.396 -1.648 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.334 -0.171 -2.674 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -5.427 1.105 -3.261 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -8.001 -0.197 -2.199 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -7.835 0.488 -3.834 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.359 -1.200 -3.625 1.00 0.42 H new ATOM 1016 N GLN A 65 -4.934 -2.762 -7.336 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.114 -2.995 -8.766 1.00 0.26 C ATOM 1018 C GLN A 65 -5.654 -4.394 -9.062 1.00 0.25 C ATOM 1019 O GLN A 65 -6.639 -4.539 -9.787 1.00 0.29 O ATOM 1020 CB GLN A 65 -3.790 -2.779 -9.504 1.00 0.29 C ATOM 1021 CG GLN A 65 -3.467 -1.314 -9.767 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.691 -0.488 -10.121 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -5.452 -0.079 -9.244 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -4.886 -0.237 -11.411 1.00 0.54 N ATOM 0 H GLN A 65 -4.000 -2.442 -7.079 1.00 0.22 H new ATOM 0 HA GLN A 65 -5.855 -2.278 -9.120 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -2.983 -3.221 -8.920 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -3.823 -3.311 -10.455 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -2.992 -0.888 -8.883 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -2.744 -1.248 -10.580 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -4.230 -0.595 -12.105 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -5.692 0.314 -11.707 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.008 -5.422 -8.516 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.442 -6.796 -8.753 1.00 0.28 C ATOM 1035 C ASP A 66 -6.290 -7.330 -7.602 1.00 0.26 C ATOM 1036 O ASP A 66 -6.638 -8.510 -7.577 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.233 -7.707 -8.977 1.00 0.35 C ATOM 1038 CG ASP A 66 -3.732 -7.659 -10.406 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -4.367 -8.288 -11.280 1.00 0.75 O ATOM 1040 OD2 ASP A 66 -2.704 -6.995 -10.653 1.00 0.84 O ATOM 0 H ASP A 66 -4.191 -5.331 -7.913 1.00 0.25 H new ATOM 0 HA ASP A 66 -6.061 -6.791 -9.650 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.429 -7.412 -8.303 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -4.502 -8.732 -8.723 1.00 0.35 H new ATOM 1045 N SER A 67 -6.627 -6.458 -6.654 1.00 0.24 N ATOM 1046 CA SER A 67 -7.443 -6.851 -5.509 1.00 0.25 C ATOM 1047 C SER A 67 -8.717 -7.557 -5.965 1.00 0.43 C ATOM 1048 O SER A 67 -9.181 -8.501 -5.325 1.00 1.15 O ATOM 1049 CB SER A 67 -7.806 -5.620 -4.679 1.00 0.23 C ATOM 1050 OG SER A 67 -9.071 -5.104 -5.057 1.00 1.26 O ATOM 0 H SER A 67 -6.348 -5.477 -6.657 1.00 0.24 H new ATOM 0 HA SER A 67 -6.863 -7.543 -4.899 1.00 0.25 H new ATOM 0 HB2 SER A 67 -7.818 -5.882 -3.621 1.00 0.23 H new ATOM 0 HB3 SER A 67 -7.043 -4.852 -4.809 1.00 0.23 H new ATOM 0 HG SER A 67 -9.676 -5.122 -4.286 1.00 1.26 H new ATOM 1056 N GLY A 68 -9.278 -7.089 -7.075 1.00 0.54 N ATOM 1057 CA GLY A 68 -10.494 -7.681 -7.600 1.00 0.53 C ATOM 1058 C GLY A 68 -11.741 -7.079 -6.984 1.00 0.52 C ATOM 1059 O GLY A 68 -12.502 -6.383 -7.656 1.00 0.69 O ATOM 0 H GLY A 68 -8.911 -6.309 -7.621 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -10.524 -7.545 -8.681 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -10.482 -8.755 -7.414 1.00 0.53 H new ATOM 1063 N LEU A 69 -11.946 -7.342 -5.697 1.00 0.47 N ATOM 1064 CA LEU A 69 -13.102 -6.819 -4.980 1.00 0.48 C ATOM 1065 C LEU A 69 -12.698 -6.383 -3.579 1.00 0.45 C ATOM 1066 O LEU A 69 -12.208 -5.271 -3.380 1.00 0.55 O ATOM 1067 CB LEU A 69 -14.210 -7.876 -4.902 1.00 0.49 C ATOM 1068 CG LEU A 69 -14.483 -8.631 -6.204 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -14.896 -10.065 -5.915 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -15.553 -7.921 -7.016 1.00 1.85 C ATOM 0 H LEU A 69 -11.324 -7.916 -5.128 1.00 0.47 H new ATOM 0 HA LEU A 69 -13.483 -5.955 -5.524 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -13.947 -8.599 -4.130 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -15.132 -7.390 -4.582 1.00 0.49 H new ATOM 0 HG LEU A 69 -13.563 -8.651 -6.789 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -15.086 -10.585 -6.854 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -14.097 -10.572 -5.374 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -15.802 -10.068 -5.309 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -15.735 -8.472 -7.939 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -16.475 -7.869 -6.437 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -15.218 -6.912 -7.256 1.00 1.85 H new ATOM 1082 N GLU A 70 -12.893 -7.272 -2.613 1.00 0.36 N ATOM 1083 CA GLU A 70 -12.535 -6.990 -1.234 1.00 0.33 C ATOM 1084 C GLU A 70 -11.285 -7.764 -0.854 1.00 0.29 C ATOM 1085 O GLU A 70 -11.239 -8.988 -0.985 1.00 0.32 O ATOM 1086 CB GLU A 70 -13.682 -7.359 -0.292 1.00 0.34 C ATOM 1087 CG GLU A 70 -14.539 -8.511 -0.790 1.00 0.88 C ATOM 1088 CD GLU A 70 -14.740 -9.584 0.262 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -15.102 -9.234 1.406 1.00 1.31 O ATOM 1090 OE2 GLU A 70 -14.537 -10.774 -0.058 1.00 1.13 O ATOM 0 H GLU A 70 -13.298 -8.196 -2.763 1.00 0.36 H new ATOM 0 HA GLU A 70 -12.339 -5.922 -1.140 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -13.270 -7.620 0.683 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.315 -6.484 -0.146 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -15.510 -8.128 -1.103 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -14.072 -8.953 -1.670 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.266 -7.050 -0.399 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.014 -7.684 -0.016 1.00 0.23 C ATOM 1099 C VAL A 71 -8.427 -7.065 1.238 1.00 0.22 C ATOM 1100 O VAL A 71 -8.764 -5.946 1.614 1.00 0.30 O ATOM 1101 CB VAL A 71 -7.963 -7.578 -1.134 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -8.494 -8.172 -2.427 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -7.546 -6.130 -1.335 1.00 0.41 C ATOM 0 H VAL A 71 -10.281 -6.036 -0.286 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.254 -8.731 0.171 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.083 -8.149 -0.836 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -7.735 -8.087 -3.205 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -8.738 -9.223 -2.271 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -9.390 -7.633 -2.734 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -6.802 -6.073 -2.129 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -8.417 -5.535 -1.610 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -7.119 -5.742 -0.410 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.512 -7.792 1.853 1.00 0.19 N ATOM 1114 CA ASN A 72 -6.828 -7.316 3.037 1.00 0.19 C ATOM 1115 C ASN A 72 -5.510 -6.697 2.607 1.00 0.17 C ATOM 1116 O ASN A 72 -4.590 -7.411 2.222 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.583 -8.470 4.011 1.00 0.22 C ATOM 1118 CG ASN A 72 -7.857 -8.940 4.689 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.959 -10.093 5.107 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -8.836 -8.050 4.801 1.00 0.63 N ATOM 0 H ASN A 72 -7.225 -8.722 1.547 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.440 -6.573 3.548 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.132 -9.305 3.474 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.867 -8.155 4.770 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.715 -8.312 5.248 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -8.709 -7.104 4.440 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.425 -5.373 2.642 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.211 -4.696 2.216 1.00 0.15 C ATOM 1129 C ILE A 73 -3.304 -4.362 3.397 1.00 0.16 C ATOM 1130 O ILE A 73 -3.503 -3.385 4.124 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.525 -3.414 1.417 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -4.936 -3.796 -0.008 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.319 -2.475 1.404 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -4.759 -2.687 -1.019 1.00 1.11 C ATOM 0 H ILE A 73 -6.173 -4.755 2.957 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.683 -5.391 1.563 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.348 -2.884 1.896 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -4.350 -4.659 -0.325 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -5.981 -4.105 -0.003 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.563 -1.578 0.835 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -3.063 -2.198 2.427 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.471 -2.979 0.941 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -5.072 -3.038 -2.002 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -5.367 -1.830 -0.729 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -3.710 -2.392 -1.056 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.286 -5.183 3.557 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.305 -4.996 4.620 1.00 0.24 C ATOM 1148 C VAL A 74 -0.090 -4.265 4.068 1.00 0.20 C ATOM 1149 O VAL A 74 0.705 -4.831 3.316 1.00 0.22 O ATOM 1150 CB VAL A 74 -0.872 -6.337 5.267 1.00 0.33 C ATOM 1151 CG1 VAL A 74 -0.770 -7.440 4.229 1.00 1.25 C ATOM 1152 CG2 VAL A 74 0.448 -6.184 6.014 1.00 1.44 C ATOM 0 H VAL A 74 -2.111 -5.993 2.963 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.775 -4.401 5.403 1.00 0.24 H new ATOM 0 HB VAL A 74 -1.642 -6.618 5.986 1.00 0.33 H new ATOM 0 HG11 VAL A 74 -0.465 -8.368 4.713 1.00 1.25 H new ATOM 0 HG12 VAL A 74 -1.740 -7.582 3.752 1.00 1.25 H new ATOM 0 HG13 VAL A 74 -0.032 -7.164 3.476 1.00 1.25 H new ATOM 0 HG21 VAL A 74 0.728 -7.139 6.458 1.00 1.44 H new ATOM 0 HG22 VAL A 74 1.225 -5.866 5.319 1.00 1.44 H new ATOM 0 HG23 VAL A 74 0.337 -5.437 6.800 1.00 1.44 H new ATOM 1162 N THR A 75 0.032 -2.995 4.430 1.00 0.20 N ATOM 1163 CA THR A 75 1.134 -2.169 3.956 1.00 0.19 C ATOM 1164 C THR A 75 1.815 -1.452 5.104 1.00 0.22 C ATOM 1165 O THR A 75 1.147 -0.884 5.968 1.00 0.30 O ATOM 1166 CB THR A 75 0.641 -1.112 2.953 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.593 -1.536 2.360 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.679 -0.881 1.868 1.00 0.35 C ATOM 0 H THR A 75 -0.619 -2.514 5.051 1.00 0.20 H new ATOM 0 HA THR A 75 1.843 -2.839 3.469 1.00 0.19 H new ATOM 0 HB THR A 75 0.480 -0.176 3.489 1.00 0.19 H new ATOM 0 HG1 THR A 75 -1.294 -0.881 2.560 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.313 -0.130 1.168 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.607 -0.533 2.321 1.00 0.35 H new ATOM 0 HG23 THR A 75 1.863 -1.814 1.336 1.00 0.35 H new ATOM 1176 N ASP A 76 3.143 -1.457 5.113 1.00 0.19 N ATOM 1177 CA ASP A 76 3.860 -0.771 6.173 1.00 0.22 C ATOM 1178 C ASP A 76 3.946 0.710 5.844 1.00 0.22 C ATOM 1179 O ASP A 76 4.816 1.137 5.091 1.00 0.24 O ATOM 1180 CB ASP A 76 5.270 -1.352 6.325 1.00 0.26 C ATOM 1181 CG ASP A 76 5.281 -2.869 6.415 1.00 0.32 C ATOM 1182 OD1 ASP A 76 4.244 -3.486 6.092 1.00 0.46 O ATOM 1183 OD2 ASP A 76 6.321 -3.440 6.802 1.00 0.80 O ATOM 0 H ASP A 76 3.730 -1.916 4.416 1.00 0.19 H new ATOM 0 HA ASP A 76 3.325 -0.907 7.113 1.00 0.22 H new ATOM 0 HB2 ASP A 76 5.879 -1.040 5.477 1.00 0.26 H new ATOM 0 HB3 ASP A 76 5.733 -0.937 7.220 1.00 0.26 H new ATOM 1188 N SER A 77 3.042 1.491 6.421 1.00 0.27 N ATOM 1189 CA SER A 77 3.020 2.927 6.189 1.00 0.32 C ATOM 1190 C SER A 77 2.150 3.631 7.221 1.00 0.35 C ATOM 1191 O SER A 77 0.924 3.522 7.175 1.00 0.44 O ATOM 1192 CB SER A 77 2.505 3.225 4.781 1.00 0.40 C ATOM 1193 OG SER A 77 1.535 2.272 4.383 1.00 1.28 O ATOM 0 H SER A 77 2.315 1.153 7.052 1.00 0.27 H new ATOM 0 HA SER A 77 4.039 3.303 6.285 1.00 0.32 H new ATOM 0 HB2 SER A 77 2.071 4.225 4.753 1.00 0.40 H new ATOM 0 HB3 SER A 77 3.337 3.218 4.077 1.00 0.40 H new ATOM 0 HG SER A 77 1.336 2.386 3.430 1.00 1.28 H new ATOM 1199 N GLN A 78 2.765 4.361 8.140 1.00 0.31 N ATOM 1200 CA GLN A 78 1.999 5.076 9.150 1.00 0.34 C ATOM 1201 C GLN A 78 1.257 6.244 8.509 1.00 0.27 C ATOM 1202 O GLN A 78 0.345 6.820 9.104 1.00 0.26 O ATOM 1203 CB GLN A 78 2.904 5.562 10.281 1.00 0.47 C ATOM 1204 CG GLN A 78 2.860 4.665 11.509 1.00 1.04 C ATOM 1205 CD GLN A 78 4.241 4.314 12.029 1.00 1.57 C ATOM 1206 OE1 GLN A 78 4.432 4.115 13.229 1.00 1.97 O ATOM 1207 NE2 GLN A 78 5.215 4.238 11.129 1.00 1.88 N ATOM 0 H GLN A 78 3.777 4.473 8.208 1.00 0.31 H new ATOM 0 HA GLN A 78 1.269 4.391 9.582 1.00 0.34 H new ATOM 0 HB2 GLN A 78 3.930 5.620 9.918 1.00 0.47 H new ATOM 0 HB3 GLN A 78 2.609 6.572 10.566 1.00 0.47 H new ATOM 0 HG2 GLN A 78 2.295 5.163 12.297 1.00 1.04 H new ATOM 0 HG3 GLN A 78 2.325 3.748 11.264 1.00 1.04 H new ATOM 0 HE21 GLN A 78 5.014 4.410 10.144 1.00 1.88 H new ATOM 0 HE22 GLN A 78 6.164 4.007 11.423 1.00 1.88 H new ATOM 1216 N TYR A 79 1.631 6.560 7.270 1.00 0.27 N ATOM 1217 CA TYR A 79 0.979 7.627 6.525 1.00 0.28 C ATOM 1218 C TYR A 79 -0.278 7.076 5.887 1.00 0.23 C ATOM 1219 O TYR A 79 -1.356 7.625 6.070 1.00 0.23 O ATOM 1220 CB TYR A 79 1.899 8.226 5.464 1.00 0.37 C ATOM 1221 CG TYR A 79 1.864 9.738 5.418 1.00 0.59 C ATOM 1222 CD1 TYR A 79 2.399 10.494 6.453 1.00 0.85 C ATOM 1223 CD2 TYR A 79 1.296 10.408 4.341 1.00 0.86 C ATOM 1224 CE1 TYR A 79 2.369 11.876 6.416 1.00 1.07 C ATOM 1225 CE2 TYR A 79 1.263 11.789 4.297 1.00 1.07 C ATOM 1226 CZ TYR A 79 1.798 12.517 5.331 1.00 1.08 C ATOM 1227 OH TYR A 79 1.769 13.892 5.295 1.00 1.33 O ATOM 0 H TYR A 79 2.382 6.090 6.764 1.00 0.27 H new ATOM 0 HA TYR A 79 0.728 8.432 7.216 1.00 0.28 H new ATOM 0 HB2 TYR A 79 2.921 7.900 5.655 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.617 7.834 4.487 1.00 0.37 H new ATOM 0 HD1 TYR A 79 2.846 9.995 7.300 1.00 0.85 H new ATOM 0 HD2 TYR A 79 0.874 9.840 3.525 1.00 0.86 H new ATOM 0 HE1 TYR A 79 2.788 12.451 7.228 1.00 1.07 H new ATOM 0 HE2 TYR A 79 0.818 12.294 3.452 1.00 1.07 H new ATOM 0 HH TYR A 79 1.562 14.191 4.385 1.00 1.33 H new ATOM 1237 N ALA A 80 -0.144 5.954 5.173 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.304 5.320 4.570 1.00 0.27 C ATOM 1239 C ALA A 80 -2.348 5.133 5.655 1.00 0.24 C ATOM 1240 O ALA A 80 -3.551 5.251 5.426 1.00 0.34 O ATOM 1241 CB ALA A 80 -0.933 3.980 3.955 1.00 0.34 C ATOM 0 H ALA A 80 0.742 5.478 5.004 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.695 5.947 3.769 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -1.819 3.526 3.510 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -0.177 4.130 3.185 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.537 3.322 4.728 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.846 4.863 6.853 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.685 4.677 8.019 1.00 0.21 C ATOM 1249 C LEU A 81 -3.471 5.949 8.317 1.00 0.18 C ATOM 1250 O LEU A 81 -4.642 5.898 8.686 1.00 0.24 O ATOM 1251 CB LEU A 81 -1.820 4.303 9.225 1.00 0.26 C ATOM 1252 CG LEU A 81 -2.371 4.725 10.590 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -3.203 3.607 11.201 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -1.231 5.120 11.519 1.00 1.83 C ATOM 0 H LEU A 81 -0.848 4.768 7.039 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.391 3.871 7.819 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -1.680 3.222 9.228 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -0.835 4.752 9.096 1.00 0.26 H new ATOM 0 HG LEU A 81 -3.019 5.591 10.451 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -3.586 3.926 12.170 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -4.038 3.372 10.541 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -2.582 2.720 11.330 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -1.636 5.418 12.486 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -0.560 4.272 11.653 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -0.680 5.954 11.084 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.806 7.087 8.173 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.442 8.360 8.442 1.00 0.16 C ATOM 1268 C GLY A 82 -4.290 8.879 7.292 1.00 0.17 C ATOM 1269 O GLY A 82 -5.411 9.337 7.508 1.00 0.20 O ATOM 0 H GLY A 82 -1.833 7.151 7.873 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -4.069 8.262 9.328 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.674 9.097 8.676 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.753 8.839 6.071 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.483 9.347 4.911 1.00 0.19 C ATOM 1275 C ILE A 83 -5.349 8.277 4.244 1.00 0.20 C ATOM 1276 O ILE A 83 -6.566 8.423 4.189 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.532 9.949 3.848 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -2.103 10.092 4.398 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -4.061 11.295 3.379 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -1.964 11.150 5.475 1.00 1.30 C ATOM 0 H ILE A 83 -2.827 8.465 5.862 1.00 0.17 H new ATOM 0 HA ILE A 83 -5.134 10.129 5.302 1.00 0.19 H new ATOM 0 HB ILE A 83 -3.494 9.268 2.998 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.781 9.132 4.802 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.430 10.334 3.576 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -3.386 11.711 2.631 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -5.051 11.165 2.941 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -4.127 11.976 4.228 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -0.928 11.192 5.813 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -2.253 12.120 5.071 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -2.610 10.900 6.316 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.724 7.211 3.738 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.459 6.136 3.064 1.00 0.21 C ATOM 1294 C ILE A 84 -6.652 5.671 3.900 1.00 0.26 C ATOM 1295 O ILE A 84 -7.737 5.443 3.365 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.537 4.936 2.720 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.154 4.979 1.225 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -5.201 3.613 3.092 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -4.497 3.726 0.442 1.00 0.58 C ATOM 0 H ILE A 84 -3.715 7.069 3.781 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.835 6.547 2.127 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.623 5.013 3.309 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.655 5.829 0.761 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.082 5.158 1.145 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -4.534 2.788 2.841 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -5.409 3.599 4.162 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -6.134 3.506 2.539 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -4.191 3.851 -0.597 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -3.975 2.872 0.874 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -5.572 3.553 0.485 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.458 5.551 5.208 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.540 5.138 6.094 1.00 0.31 C ATOM 1313 C GLN A 85 -8.645 6.183 6.069 1.00 0.32 C ATOM 1314 O GLN A 85 -9.830 5.856 5.989 1.00 0.40 O ATOM 1315 CB GLN A 85 -7.026 4.952 7.521 1.00 0.33 C ATOM 1316 CG GLN A 85 -8.121 4.670 8.536 1.00 0.49 C ATOM 1317 CD GLN A 85 -7.918 3.349 9.256 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -6.993 2.597 8.945 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -8.779 3.059 10.223 1.00 0.86 N ATOM 0 H GLN A 85 -5.570 5.732 5.676 1.00 0.27 H new ATOM 0 HA GLN A 85 -7.936 4.184 5.746 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.310 4.130 7.535 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -6.486 5.850 7.823 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -8.152 5.478 9.267 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -9.087 4.660 8.031 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -9.531 3.710 10.449 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -8.689 2.185 10.741 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.236 7.446 6.119 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.170 8.560 6.084 1.00 0.33 C ATOM 1330 C ALA A 86 -9.419 8.992 4.651 1.00 0.33 C ATOM 1331 O ALA A 86 -8.747 9.898 4.159 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.639 9.723 6.910 1.00 0.38 C ATOM 0 H ALA A 86 -7.256 7.723 6.184 1.00 0.30 H new ATOM 0 HA ALA A 86 -10.117 8.236 6.516 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.349 10.549 6.874 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.506 9.404 7.944 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.681 10.050 6.505 1.00 0.38 H new ATOM 1338 N GLN A 87 -10.388 8.322 4.000 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.751 8.598 2.605 1.00 0.31 C ATOM 1340 C GLN A 87 -9.960 9.768 2.048 1.00 0.31 C ATOM 1341 O GLN A 87 -10.464 10.887 1.958 1.00 0.35 O ATOM 1342 CB GLN A 87 -12.259 8.849 2.435 1.00 0.37 C ATOM 1343 CG GLN A 87 -13.009 9.115 3.726 1.00 0.71 C ATOM 1344 CD GLN A 87 -12.393 10.240 4.522 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -12.519 11.412 4.168 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -11.719 9.885 5.602 1.00 1.08 N ATOM 0 H GLN A 87 -10.938 7.577 4.428 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.497 7.703 2.037 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -12.398 9.700 1.768 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.704 7.983 1.944 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -14.046 9.359 3.498 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -13.021 8.208 4.331 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -11.643 8.900 5.855 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -11.275 10.596 6.183 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.689 9.523 1.682 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.820 10.558 1.154 1.00 0.31 C ATOM 1357 C PRO A 88 -8.035 10.774 -0.337 1.00 0.42 C ATOM 1358 O PRO A 88 -7.102 11.115 -1.059 1.00 0.99 O ATOM 1359 CB PRO A 88 -6.434 9.993 1.413 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.616 8.533 1.222 1.00 0.31 C ATOM 1361 CD PRO A 88 -7.992 8.223 1.762 1.00 0.27 C ATOM 0 HA PRO A 88 -7.998 11.531 1.613 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -5.698 10.400 0.720 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -6.087 10.226 2.420 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.538 8.262 0.169 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.850 7.969 1.754 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.495 7.460 1.168 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.948 7.852 2.786 1.00 0.27 H new ATOM 1369 N ASP A 89 -9.270 10.559 -0.792 1.00 0.52 N ATOM 1370 CA ASP A 89 -9.616 10.720 -2.206 1.00 0.49 C ATOM 1371 C ASP A 89 -9.035 12.009 -2.765 1.00 0.46 C ATOM 1372 O ASP A 89 -8.859 12.157 -3.974 1.00 0.46 O ATOM 1373 CB ASP A 89 -11.137 10.727 -2.396 1.00 0.51 C ATOM 1374 CG ASP A 89 -11.898 10.547 -1.096 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -11.746 9.484 -0.460 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -12.651 11.469 -0.716 1.00 1.87 O ATOM 0 H ASP A 89 -10.050 10.272 -0.200 1.00 0.52 H new ATOM 0 HA ASP A 89 -9.190 9.874 -2.746 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -11.435 11.668 -2.858 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -11.415 9.931 -3.086 1.00 0.51 H new ATOM 1381 N GLN A 90 -8.750 12.940 -1.868 1.00 0.47 N ATOM 1382 CA GLN A 90 -8.199 14.229 -2.247 1.00 0.48 C ATOM 1383 C GLN A 90 -7.573 14.913 -1.035 1.00 0.47 C ATOM 1384 O GLN A 90 -7.571 16.140 -0.931 1.00 0.54 O ATOM 1385 CB GLN A 90 -9.305 15.107 -2.841 1.00 0.51 C ATOM 1386 CG GLN A 90 -10.693 14.800 -2.289 1.00 0.68 C ATOM 1387 CD GLN A 90 -10.705 14.651 -0.777 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -10.593 15.636 -0.046 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -10.844 13.416 -0.299 1.00 0.58 N ATOM 0 H GLN A 90 -8.893 12.824 -0.865 1.00 0.47 H new ATOM 0 HA GLN A 90 -7.422 14.079 -2.997 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -9.070 16.153 -2.647 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -9.317 14.978 -3.923 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -11.378 15.598 -2.576 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -11.065 13.881 -2.743 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -10.934 12.628 -0.940 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -10.861 13.258 0.709 1.00 0.58 H new ATOM 1398 N SER A 91 -7.057 14.105 -0.112 1.00 0.41 N ATOM 1399 CA SER A 91 -6.443 14.627 1.103 1.00 0.42 C ATOM 1400 C SER A 91 -4.950 14.314 1.172 1.00 0.37 C ATOM 1401 O SER A 91 -4.507 13.235 0.775 1.00 0.33 O ATOM 1402 CB SER A 91 -7.149 14.056 2.333 1.00 0.45 C ATOM 1403 OG SER A 91 -7.673 15.091 3.148 1.00 1.34 O ATOM 0 H SER A 91 -7.052 13.088 -0.183 1.00 0.41 H new ATOM 0 HA SER A 91 -6.553 15.711 1.084 1.00 0.42 H new ATOM 0 HB2 SER A 91 -7.955 13.393 2.018 1.00 0.45 H new ATOM 0 HB3 SER A 91 -6.448 13.453 2.911 1.00 0.45 H new ATOM 0 HG SER A 91 -8.121 14.699 3.927 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.192 15.268 1.702 1.00 0.43 N ATOM 1410 CA GLU A 92 -2.746 15.136 1.868 1.00 0.41 C ATOM 1411 C GLU A 92 -2.059 14.530 0.640 1.00 0.37 C ATOM 1412 O GLU A 92 -2.073 15.120 -0.441 1.00 0.41 O ATOM 1413 CB GLU A 92 -2.434 14.306 3.115 1.00 0.38 C ATOM 1414 CG GLU A 92 -1.082 14.624 3.735 1.00 0.43 C ATOM 1415 CD GLU A 92 -1.201 15.203 5.131 1.00 0.98 C ATOM 1416 OE1 GLU A 92 -1.945 14.626 5.952 1.00 1.38 O ATOM 1417 OE2 GLU A 92 -0.547 16.233 5.405 1.00 1.49 O ATOM 0 H GLU A 92 -4.564 16.159 2.031 1.00 0.43 H new ATOM 0 HA GLU A 92 -2.346 16.143 1.987 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -3.214 14.474 3.858 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -2.465 13.248 2.854 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -0.481 13.715 3.773 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -0.551 15.331 3.097 1.00 0.43 H new ATOM 1424 N SER A 93 -1.437 13.364 0.829 1.00 0.31 N ATOM 1425 CA SER A 93 -0.712 12.674 -0.237 1.00 0.29 C ATOM 1426 C SER A 93 -1.487 12.655 -1.553 1.00 0.26 C ATOM 1427 O SER A 93 -2.716 12.672 -1.571 1.00 0.26 O ATOM 1428 CB SER A 93 -0.388 11.243 0.196 1.00 0.28 C ATOM 1429 OG SER A 93 -0.514 10.339 -0.889 1.00 1.05 O ATOM 0 H SER A 93 -1.422 12.874 1.723 1.00 0.31 H new ATOM 0 HA SER A 93 0.210 13.228 -0.412 1.00 0.29 H new ATOM 0 HB2 SER A 93 0.627 11.201 0.592 1.00 0.28 H new ATOM 0 HB3 SER A 93 -1.058 10.944 1.002 1.00 0.28 H new ATOM 0 HG SER A 93 -0.209 9.450 -0.611 1.00 1.05 H new ATOM 1435 N GLU A 94 -0.742 12.615 -2.654 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.328 12.579 -3.988 1.00 0.25 C ATOM 1437 C GLU A 94 -1.686 11.147 -4.383 1.00 0.22 C ATOM 1438 O GLU A 94 -2.699 10.901 -5.039 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.352 13.178 -5.004 1.00 0.29 C ATOM 1440 CG GLU A 94 0.916 12.358 -5.189 1.00 1.17 C ATOM 1441 CD GLU A 94 1.717 12.790 -6.400 1.00 2.09 C ATOM 1442 OE1 GLU A 94 2.555 13.706 -6.263 1.00 2.12 O ATOM 1443 OE2 GLU A 94 1.511 12.211 -7.488 1.00 3.06 O ATOM 0 H GLU A 94 0.278 12.607 -2.646 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.243 13.171 -3.980 1.00 0.25 H new ATOM 0 HB2 GLU A 94 -0.856 13.274 -5.966 1.00 0.29 H new ATOM 0 HB3 GLU A 94 -0.080 14.184 -4.684 1.00 0.29 H new ATOM 0 HG2 GLU A 94 1.536 12.448 -4.297 1.00 1.17 H new ATOM 0 HG3 GLU A 94 0.652 11.305 -5.289 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.835 10.207 -3.980 1.00 0.26 N ATOM 1451 CA LEU A 95 -1.036 8.793 -4.282 1.00 0.28 C ATOM 1452 C LEU A 95 -2.341 8.286 -3.703 1.00 0.25 C ATOM 1453 O LEU A 95 -3.136 7.647 -4.393 1.00 0.28 O ATOM 1454 CB LEU A 95 0.100 7.966 -3.699 1.00 0.34 C ATOM 1455 CG LEU A 95 1.491 8.585 -3.842 1.00 0.76 C ATOM 1456 CD1 LEU A 95 2.011 9.044 -2.490 1.00 1.74 C ATOM 1457 CD2 LEU A 95 2.452 7.590 -4.476 1.00 1.01 C ATOM 0 H LEU A 95 0.007 10.402 -3.439 1.00 0.26 H new ATOM 0 HA LEU A 95 -1.062 8.692 -5.367 1.00 0.28 H new ATOM 0 HB2 LEU A 95 -0.099 7.798 -2.641 1.00 0.34 H new ATOM 0 HB3 LEU A 95 0.103 6.989 -4.182 1.00 0.34 H new ATOM 0 HG LEU A 95 1.417 9.455 -4.494 1.00 0.76 H new ATOM 0 HD11 LEU A 95 3.002 9.482 -2.611 1.00 1.74 H new ATOM 0 HD12 LEU A 95 1.333 9.789 -2.073 1.00 1.74 H new ATOM 0 HD13 LEU A 95 2.071 8.191 -1.815 1.00 1.74 H new ATOM 0 HD21 LEU A 95 3.438 8.046 -4.571 1.00 1.01 H new ATOM 0 HD22 LEU A 95 2.522 6.701 -3.849 1.00 1.01 H new ATOM 0 HD23 LEU A 95 2.086 7.309 -5.463 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.542 8.563 -2.424 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.735 8.128 -1.725 1.00 0.23 C ATOM 1471 C VAL A 96 -4.987 8.530 -2.497 1.00 0.25 C ATOM 1472 O VAL A 96 -6.020 7.865 -2.415 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.801 8.738 -0.315 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -2.787 8.092 0.611 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.592 10.240 -0.376 1.00 0.31 C ATOM 0 H VAL A 96 -1.887 9.091 -1.848 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.689 7.042 -1.644 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.794 8.542 0.091 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -2.858 8.544 1.600 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -2.991 7.024 0.685 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -1.783 8.243 0.214 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.642 10.655 0.630 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.615 10.454 -0.809 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -4.369 10.691 -0.993 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.881 9.615 -3.258 1.00 0.23 N ATOM 1486 CA ASN A 97 -5.997 10.101 -4.060 1.00 0.25 C ATOM 1487 C ASN A 97 -6.311 9.113 -5.176 1.00 0.25 C ATOM 1488 O ASN A 97 -7.450 8.670 -5.332 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.671 11.468 -4.672 1.00 0.27 C ATOM 1490 CG ASN A 97 -5.588 12.586 -3.647 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -5.732 13.760 -3.986 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -5.345 12.232 -2.391 1.00 0.44 N ATOM 0 H ASN A 97 -4.032 10.175 -3.336 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.864 10.202 -3.407 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.722 11.402 -5.204 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -6.433 11.718 -5.410 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -5.271 12.945 -1.665 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -5.232 11.247 -2.152 1.00 0.44 H new ATOM 1499 N GLN A 98 -5.284 8.780 -5.952 1.00 0.25 N ATOM 1500 CA GLN A 98 -5.424 7.849 -7.068 1.00 0.27 C ATOM 1501 C GLN A 98 -5.897 6.479 -6.592 1.00 0.28 C ATOM 1502 O GLN A 98 -6.605 5.771 -7.309 1.00 0.32 O ATOM 1503 CB GLN A 98 -4.084 7.707 -7.793 1.00 0.31 C ATOM 1504 CG GLN A 98 -4.209 7.515 -9.296 1.00 0.62 C ATOM 1505 CD GLN A 98 -5.173 6.406 -9.670 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -4.919 5.233 -9.402 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -6.287 6.773 -10.294 1.00 1.52 N ATOM 0 H GLN A 98 -4.339 9.144 -5.827 1.00 0.25 H new ATOM 0 HA GLN A 98 -6.174 8.249 -7.751 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -3.483 8.595 -7.600 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -3.544 6.859 -7.373 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -4.542 8.448 -9.750 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -3.227 7.291 -9.712 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -6.457 7.758 -10.497 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -6.972 6.070 -10.570 1.00 1.52 H new ATOM 1516 N ILE A 99 -5.499 6.108 -5.381 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.876 4.819 -4.819 1.00 0.32 C ATOM 1518 C ILE A 99 -7.351 4.785 -4.458 1.00 0.32 C ATOM 1519 O ILE A 99 -8.047 3.815 -4.751 1.00 0.43 O ATOM 1520 CB ILE A 99 -5.036 4.486 -3.569 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -3.691 3.898 -3.982 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -5.779 3.518 -2.659 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -2.511 4.742 -3.565 1.00 0.43 C ATOM 0 H ILE A 99 -4.916 6.681 -4.771 1.00 0.28 H new ATOM 0 HA ILE A 99 -5.682 4.069 -5.586 1.00 0.32 H new ATOM 0 HB ILE A 99 -4.863 5.409 -3.015 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -3.589 2.904 -3.546 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -3.675 3.774 -5.065 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -5.167 3.298 -1.784 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -6.719 3.968 -2.340 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -5.984 2.594 -3.200 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -1.588 4.263 -3.891 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -2.590 5.728 -4.022 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -2.502 4.845 -2.480 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.818 5.844 -3.812 1.00 0.28 N ATOM 1536 CA ILE A 100 -9.209 5.933 -3.401 1.00 0.30 C ATOM 1537 C ILE A 100 -10.147 5.750 -4.576 1.00 0.28 C ATOM 1538 O ILE A 100 -11.013 4.881 -4.555 1.00 0.29 O ATOM 1539 CB ILE A 100 -9.509 7.274 -2.726 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.825 7.345 -1.356 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -11.012 7.465 -2.608 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.762 6.015 -0.625 1.00 0.32 C ATOM 0 H ILE A 100 -7.251 6.654 -3.561 1.00 0.28 H new ATOM 0 HA ILE A 100 -9.374 5.128 -2.685 1.00 0.30 H new ATOM 0 HB ILE A 100 -9.110 8.084 -3.336 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.811 7.724 -1.487 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -9.356 8.065 -0.733 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -11.221 8.421 -2.127 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -11.459 7.454 -3.602 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -11.436 6.658 -2.010 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -8.264 6.151 0.335 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.773 5.642 -0.460 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -8.204 5.296 -1.225 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.971 6.572 -5.596 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.802 6.480 -6.783 1.00 0.27 C ATOM 1556 C GLU A 101 -10.828 5.032 -7.256 1.00 0.25 C ATOM 1557 O GLU A 101 -11.866 4.504 -7.670 1.00 0.23 O ATOM 1558 CB GLU A 101 -10.255 7.396 -7.877 1.00 0.31 C ATOM 1559 CG GLU A 101 -10.748 8.830 -7.766 1.00 0.42 C ATOM 1560 CD GLU A 101 -11.529 9.276 -8.987 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -12.177 8.419 -9.624 1.00 0.93 O ATOM 1562 OE2 GLU A 101 -11.495 10.484 -9.306 1.00 1.09 O ATOM 0 H GLU A 101 -9.264 7.307 -5.626 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.818 6.800 -6.551 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -9.166 7.390 -7.835 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -10.539 6.996 -8.851 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -11.378 8.926 -6.882 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -9.895 9.493 -7.623 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.671 4.387 -7.155 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.534 2.995 -7.538 1.00 0.28 C ATOM 1571 C GLN A 102 -10.219 2.093 -6.517 1.00 0.26 C ATOM 1572 O GLN A 102 -10.683 1.003 -6.845 1.00 0.28 O ATOM 1573 CB GLN A 102 -8.054 2.626 -7.667 1.00 0.35 C ATOM 1574 CG GLN A 102 -7.705 1.953 -8.984 1.00 0.56 C ATOM 1575 CD GLN A 102 -7.731 2.916 -10.154 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -6.700 3.462 -10.546 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -8.914 3.130 -10.717 1.00 0.67 N ATOM 0 H GLN A 102 -8.812 4.813 -6.808 1.00 0.27 H new ATOM 0 HA GLN A 102 -10.016 2.850 -8.505 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.453 3.529 -7.560 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -7.781 1.962 -6.846 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -6.714 1.506 -8.908 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -8.408 1.141 -9.171 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -9.743 2.655 -10.359 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -8.994 3.769 -11.508 1.00 0.67 H new ATOM 1586 N LEU A 103 -10.291 2.566 -5.279 1.00 0.26 N ATOM 1587 CA LEU A 103 -10.937 1.817 -4.210 1.00 0.25 C ATOM 1588 C LEU A 103 -12.440 1.774 -4.442 1.00 0.26 C ATOM 1589 O LEU A 103 -13.065 0.725 -4.325 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.638 2.454 -2.849 1.00 0.29 C ATOM 1591 CG LEU A 103 -10.038 1.511 -1.805 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -9.006 2.239 -0.957 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -11.130 0.916 -0.928 1.00 1.02 C ATOM 0 H LEU A 103 -9.909 3.467 -4.991 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.543 0.801 -4.212 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -9.952 3.287 -2.999 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -11.563 2.870 -2.450 1.00 0.29 H new ATOM 0 HG LEU A 103 -9.538 0.695 -2.328 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -8.590 1.552 -0.220 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -8.206 2.612 -1.597 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -9.481 3.076 -0.445 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -10.682 0.248 -0.192 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -11.661 1.717 -0.415 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -11.830 0.356 -1.548 1.00 1.02 H new ATOM 1605 N ILE A 104 -13.013 2.925 -4.781 1.00 0.26 N ATOM 1606 CA ILE A 104 -14.444 3.019 -5.038 1.00 0.30 C ATOM 1607 C ILE A 104 -14.871 2.018 -6.104 1.00 0.28 C ATOM 1608 O ILE A 104 -15.974 1.473 -6.052 1.00 0.34 O ATOM 1609 CB ILE A 104 -14.856 4.433 -5.497 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -14.034 5.498 -4.765 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -16.345 4.647 -5.267 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -14.294 6.909 -5.249 1.00 0.43 C ATOM 0 H ILE A 104 -12.507 3.805 -4.884 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.943 2.795 -4.095 1.00 0.30 H new ATOM 0 HB ILE A 104 -14.655 4.526 -6.564 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -14.253 5.443 -3.699 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.974 5.272 -4.885 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -16.624 5.649 -5.595 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.911 3.909 -5.835 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -16.569 4.537 -4.206 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -13.676 7.607 -4.684 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -14.048 6.982 -6.308 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -15.346 7.156 -5.104 1.00 0.43 H new ATOM 1624 N LYS A 105 -13.996 1.791 -7.080 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.294 0.867 -8.170 1.00 0.29 C ATOM 1626 C LYS A 105 -14.259 -0.600 -7.723 1.00 0.29 C ATOM 1627 O LYS A 105 -14.395 -1.498 -8.555 1.00 0.31 O ATOM 1628 CB LYS A 105 -13.324 1.093 -9.337 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.051 0.262 -9.261 1.00 0.53 C ATOM 1630 CD LYS A 105 -11.976 -0.754 -10.388 1.00 0.62 C ATOM 1631 CE LYS A 105 -11.059 -1.914 -10.030 1.00 1.05 C ATOM 1632 NZ LYS A 105 -11.800 -3.027 -9.373 1.00 1.65 N ATOM 0 H LYS A 105 -13.078 2.232 -7.138 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.312 1.076 -8.499 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -13.838 0.865 -10.271 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -13.054 2.148 -9.371 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -11.183 0.920 -9.306 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.010 -0.254 -8.302 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -12.975 -1.132 -10.606 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -11.614 -0.268 -11.294 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -10.573 -2.285 -10.933 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -10.270 -1.561 -9.366 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -11.240 -3.395 -8.578 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -12.713 -2.676 -9.020 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -11.965 -3.788 -10.062 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.088 -0.857 -6.422 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.056 -2.240 -5.938 1.00 0.32 C ATOM 1648 C LYS A 106 -14.952 -2.437 -4.713 1.00 0.35 C ATOM 1649 O LYS A 106 -16.008 -1.815 -4.604 1.00 0.56 O ATOM 1650 CB LYS A 106 -12.621 -2.691 -5.640 1.00 0.30 C ATOM 1651 CG LYS A 106 -11.766 -1.645 -4.952 1.00 0.38 C ATOM 1652 CD LYS A 106 -10.304 -2.055 -4.918 1.00 0.52 C ATOM 1653 CE LYS A 106 -9.689 -2.036 -6.309 1.00 0.68 C ATOM 1654 NZ LYS A 106 -8.751 -0.894 -6.488 1.00 1.27 N ATOM 0 H LYS A 106 -13.972 -0.145 -5.701 1.00 0.29 H new ATOM 0 HA LYS A 106 -14.451 -2.867 -6.738 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -12.656 -3.583 -5.014 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -12.141 -2.977 -6.576 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -11.866 -0.692 -5.472 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -12.126 -1.492 -3.935 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -9.751 -1.380 -4.265 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -10.215 -3.055 -4.493 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -9.158 -2.972 -6.484 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -10.481 -1.975 -7.055 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -9.181 -0.187 -7.118 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -8.552 -0.460 -5.564 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -7.863 -1.237 -6.907 1.00 1.27 H new ATOM 1668 N GLU A 107 -14.542 -3.333 -3.811 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.328 -3.639 -2.615 1.00 0.36 C ATOM 1670 C GLU A 107 -14.724 -3.053 -1.352 1.00 0.34 C ATOM 1671 O GLU A 107 -15.470 -2.602 -0.493 1.00 0.64 O ATOM 1672 CB GLU A 107 -15.452 -5.145 -2.446 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.504 -5.564 -1.428 1.00 0.58 C ATOM 1674 CD GLU A 107 -17.876 -5.743 -2.048 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -18.263 -4.903 -2.886 1.00 1.21 O ATOM 1676 OE2 GLU A 107 -18.562 -6.727 -1.698 1.00 1.44 O ATOM 0 H GLU A 107 -13.671 -3.858 -3.887 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.308 -3.185 -2.760 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -15.695 -5.591 -3.410 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -14.486 -5.548 -2.143 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -16.197 -6.498 -0.957 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -16.561 -4.813 -0.640 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.386 -3.083 -1.243 1.00 0.34 N ATOM 1684 CA LYS A 108 -12.664 -2.549 -0.064 1.00 0.34 C ATOM 1685 C LYS A 108 -11.286 -3.184 0.115 1.00 0.37 C ATOM 1686 O LYS A 108 -10.972 -4.212 -0.484 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.450 -2.767 1.240 1.00 0.35 C ATOM 1688 CG LYS A 108 -14.019 -4.165 1.385 1.00 0.48 C ATOM 1689 CD LYS A 108 -14.486 -4.437 2.804 1.00 0.40 C ATOM 1690 CE LYS A 108 -15.992 -4.284 2.936 1.00 0.51 C ATOM 1691 NZ LYS A 108 -16.433 -2.882 2.693 1.00 1.23 N ATOM 0 H LYS A 108 -12.774 -3.473 -1.960 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.552 -1.483 -0.261 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -12.795 -2.562 2.087 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.266 -2.046 1.286 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -14.855 -4.291 0.696 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -13.262 -4.897 1.105 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -14.195 -5.446 3.096 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -13.988 -3.751 3.489 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -16.487 -4.948 2.228 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -16.302 -4.594 3.934 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -17.260 -2.670 3.287 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -15.659 -2.229 2.930 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -16.688 -2.767 1.691 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.490 -2.569 0.994 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.156 -3.061 1.332 1.00 0.22 C ATOM 1707 C VAL A 109 -8.852 -2.757 2.794 1.00 0.21 C ATOM 1708 O VAL A 109 -9.059 -1.637 3.263 1.00 0.23 O ATOM 1709 CB VAL A 109 -8.039 -2.457 0.452 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.231 -2.861 -1.000 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -7.998 -0.944 0.589 1.00 0.23 C ATOM 0 H VAL A 109 -10.754 -1.717 1.490 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.167 -4.135 1.148 1.00 0.22 H new ATOM 0 HB VAL A 109 -7.083 -2.851 0.796 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.436 -2.427 -1.607 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.199 -3.947 -1.083 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.196 -2.499 -1.354 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.203 -0.543 -0.040 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -8.954 -0.524 0.277 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.807 -0.678 1.629 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.376 -3.761 3.514 1.00 0.20 N ATOM 1722 CA TYR A 110 -8.059 -3.607 4.926 1.00 0.21 C ATOM 1723 C TYR A 110 -6.607 -3.163 5.095 1.00 0.22 C ATOM 1724 O TYR A 110 -5.689 -3.956 4.908 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.332 -4.940 5.635 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.448 -5.237 6.824 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -7.513 -4.455 7.969 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.537 -6.277 6.790 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -6.696 -4.705 9.051 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.711 -6.538 7.858 1.00 0.36 C ATOM 1731 CZ TYR A 110 -5.856 -5.814 9.024 1.00 0.48 C ATOM 1732 OH TYR A 110 -4.969 -6.005 10.066 1.00 0.59 O ATOM 0 H TYR A 110 -8.200 -4.694 3.142 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.685 -2.835 5.374 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.371 -4.950 5.965 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -8.220 -5.747 4.910 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -8.216 -3.636 8.013 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -6.473 -6.896 5.907 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -6.708 -4.049 9.909 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -4.954 -7.305 7.785 1.00 0.36 H new ATOM 0 HH TYR A 110 -4.450 -6.821 9.908 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.410 -1.889 5.432 1.00 0.25 N ATOM 1743 CA LEU A 111 -5.066 -1.339 5.603 1.00 0.30 C ATOM 1744 C LEU A 111 -4.578 -1.500 7.035 1.00 0.41 C ATOM 1745 O LEU A 111 -5.240 -1.065 7.978 1.00 0.64 O ATOM 1746 CB LEU A 111 -5.042 0.140 5.208 1.00 0.50 C ATOM 1747 CG LEU A 111 -3.647 0.757 5.062 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -3.261 0.869 3.596 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -3.598 2.119 5.735 1.00 1.34 C ATOM 0 H LEU A 111 -7.163 -1.219 5.592 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.394 -1.897 4.950 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -5.573 0.255 4.263 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -5.596 0.708 5.956 1.00 0.50 H new ATOM 0 HG LEU A 111 -2.927 0.103 5.554 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -2.267 1.309 3.514 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -3.257 -0.123 3.144 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -3.982 1.501 3.077 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -2.601 2.545 5.623 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -4.329 2.781 5.271 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -3.829 2.010 6.795 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.415 -2.126 7.192 1.00 0.34 N ATOM 1762 CA ALA A 112 -2.844 -2.340 8.518 1.00 0.54 C ATOM 1763 C ALA A 112 -1.328 -2.163 8.525 1.00 0.41 C ATOM 1764 O ALA A 112 -0.648 -2.484 7.544 1.00 0.42 O ATOM 1765 CB ALA A 112 -3.210 -3.723 9.029 1.00 0.83 C ATOM 0 H ALA A 112 -2.853 -2.492 6.423 1.00 0.34 H new ATOM 0 HA ALA A 112 -3.265 -1.584 9.180 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -2.778 -3.871 10.019 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -4.295 -3.814 9.089 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -2.820 -4.478 8.346 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.811 -1.653 9.648 1.00 0.40 N ATOM 1772 CA TRP A 113 0.621 -1.431 9.815 1.00 0.46 C ATOM 1773 C TRP A 113 0.980 -1.274 11.294 1.00 0.85 C ATOM 1774 O TRP A 113 0.360 -0.491 12.016 1.00 1.15 O ATOM 1775 CB TRP A 113 1.062 -0.192 9.034 1.00 0.31 C ATOM 1776 CG TRP A 113 2.433 0.300 9.399 1.00 0.53 C ATOM 1777 CD1 TRP A 113 2.788 1.587 9.686 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.631 -0.480 9.514 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.131 1.655 9.966 1.00 1.23 N ATOM 1780 CE2 TRP A 113 4.671 0.401 9.867 1.00 0.98 C ATOM 1781 CE3 TRP A 113 3.928 -1.838 9.351 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 5.980 -0.030 10.060 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 5.229 -2.264 9.543 1.00 3.00 C ATOM 1784 CH2 TRP A 113 6.240 -1.361 9.893 1.00 2.58 C ATOM 0 H TRP A 113 -1.371 -1.386 10.457 1.00 0.40 H new ATOM 0 HA TRP A 113 1.147 -2.302 9.424 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.040 -0.419 7.968 1.00 0.31 H new ATOM 0 HB3 TRP A 113 0.342 0.608 9.204 1.00 0.31 H new ATOM 0 HD1 TRP A 113 2.111 2.429 9.692 1.00 1.31 H new ATOM 0 HE1 TRP A 113 4.643 2.503 10.209 1.00 1.23 H new ATOM 0 HE3 TRP A 113 3.154 -2.541 9.080 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 6.763 0.663 10.332 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 5.469 -3.310 9.421 1.00 3.00 H new ATOM 0 HH2 TRP A 113 7.247 -1.724 10.034 1.00 2.58 H new ATOM 1795 N VAL A 114 1.991 -2.018 11.733 1.00 1.03 N ATOM 1796 CA VAL A 114 2.450 -1.965 13.117 1.00 1.40 C ATOM 1797 C VAL A 114 3.880 -1.418 13.183 1.00 1.31 C ATOM 1798 O VAL A 114 4.722 -1.796 12.375 1.00 1.22 O ATOM 1799 CB VAL A 114 2.398 -3.362 13.771 1.00 1.86 C ATOM 1800 CG1 VAL A 114 3.023 -3.340 15.159 1.00 2.21 C ATOM 1801 CG2 VAL A 114 0.964 -3.868 13.835 1.00 2.36 C ATOM 0 H VAL A 114 2.511 -2.669 11.145 1.00 1.03 H new ATOM 0 HA VAL A 114 1.784 -1.299 13.666 1.00 1.40 H new ATOM 0 HB VAL A 114 2.979 -4.047 13.153 1.00 1.86 H new ATOM 0 HG11 VAL A 114 2.973 -4.337 15.596 1.00 2.21 H new ATOM 0 HG12 VAL A 114 4.065 -3.029 15.084 1.00 2.21 H new ATOM 0 HG13 VAL A 114 2.479 -2.638 15.792 1.00 2.21 H new ATOM 0 HG21 VAL A 114 0.947 -4.854 14.299 1.00 2.36 H new ATOM 0 HG22 VAL A 114 0.361 -3.178 14.426 1.00 2.36 H new ATOM 0 HG23 VAL A 114 0.556 -3.934 12.826 1.00 2.36 H new ATOM 1811 N PRO A 115 4.167 -0.512 14.140 1.00 1.47 N ATOM 1812 CA PRO A 115 5.491 0.100 14.306 1.00 1.43 C ATOM 1813 C PRO A 115 6.645 -0.870 14.041 1.00 1.51 C ATOM 1814 O PRO A 115 6.503 -2.082 14.210 1.00 1.86 O ATOM 1815 CB PRO A 115 5.496 0.553 15.777 1.00 1.79 C ATOM 1816 CG PRO A 115 4.127 0.258 16.319 1.00 2.19 C ATOM 1817 CD PRO A 115 3.232 0.011 15.137 1.00 1.82 C ATOM 0 HA PRO A 115 5.646 0.908 13.591 1.00 1.43 H new ATOM 0 HB2 PRO A 115 6.260 0.022 16.344 1.00 1.79 H new ATOM 0 HB3 PRO A 115 5.723 1.616 15.855 1.00 1.79 H new ATOM 0 HG2 PRO A 115 4.151 -0.613 16.974 1.00 2.19 H new ATOM 0 HG3 PRO A 115 3.759 1.094 16.914 1.00 2.19 H new ATOM 0 HD2 PRO A 115 2.442 -0.704 15.368 1.00 1.82 H new ATOM 0 HD3 PRO A 115 2.745 0.925 14.798 1.00 1.82 H new ATOM 1825 N ALA A 116 7.785 -0.315 13.616 1.00 1.35 N ATOM 1826 CA ALA A 116 8.983 -1.102 13.309 1.00 1.57 C ATOM 1827 C ALA A 116 8.826 -1.864 11.994 1.00 1.27 C ATOM 1828 O ALA A 116 7.953 -2.722 11.866 1.00 1.85 O ATOM 1829 CB ALA A 116 9.312 -2.061 14.447 1.00 2.13 C ATOM 0 H ALA A 116 7.903 0.688 13.476 1.00 1.35 H new ATOM 0 HA ALA A 116 9.813 -0.405 13.196 1.00 1.57 H new ATOM 0 HB1 ALA A 116 10.205 -2.633 14.194 1.00 2.13 H new ATOM 0 HB2 ALA A 116 9.491 -1.494 15.360 1.00 2.13 H new ATOM 0 HB3 ALA A 116 8.476 -2.743 14.601 1.00 2.13 H new ATOM 1835 N HIS A 117 9.682 -1.536 11.022 1.00 1.34 N ATOM 1836 CA HIS A 117 9.653 -2.176 9.704 1.00 1.30 C ATOM 1837 C HIS A 117 9.466 -3.686 9.825 1.00 1.21 C ATOM 1838 O HIS A 117 10.125 -4.338 10.635 1.00 1.73 O ATOM 1839 CB HIS A 117 10.946 -1.870 8.939 1.00 1.75 C ATOM 1840 CG HIS A 117 10.761 -0.907 7.805 1.00 1.67 C ATOM 1841 ND1 HIS A 117 9.519 -0.485 7.374 1.00 1.57 N ATOM 1842 CD2 HIS A 117 11.665 -0.282 7.009 1.00 1.77 C ATOM 1843 CE1 HIS A 117 9.667 0.355 6.365 1.00 1.61 C ATOM 1844 NE2 HIS A 117 10.957 0.495 6.125 1.00 1.73 N ATOM 0 H HIS A 117 10.408 -0.827 11.125 1.00 1.34 H new ATOM 0 HA HIS A 117 8.804 -1.771 9.154 1.00 1.30 H new ATOM 0 HB2 HIS A 117 11.681 -1.463 9.633 1.00 1.75 H new ATOM 0 HB3 HIS A 117 11.357 -2.802 8.550 1.00 1.75 H new ATOM 0 HD2 HIS A 117 12.740 -0.378 7.061 1.00 1.77 H new ATOM 0 HE1 HIS A 117 8.868 0.844 5.828 1.00 1.61 H new ATOM 0 HE2 HIS A 117 11.363 1.086 5.399 1.00 1.73 H new ATOM 1853 N LYS A 118 8.559 -4.236 9.021 1.00 0.97 N ATOM 1854 CA LYS A 118 8.285 -5.670 9.049 1.00 1.25 C ATOM 1855 C LYS A 118 8.385 -6.284 7.654 1.00 1.39 C ATOM 1856 O LYS A 118 8.603 -7.488 7.513 1.00 1.65 O ATOM 1857 CB LYS A 118 6.897 -5.931 9.638 1.00 1.76 C ATOM 1858 CG LYS A 118 6.923 -6.332 11.104 1.00 1.81 C ATOM 1859 CD LYS A 118 5.845 -5.611 11.901 1.00 2.21 C ATOM 1860 CE LYS A 118 6.384 -5.070 13.218 1.00 2.73 C ATOM 1861 NZ LYS A 118 7.686 -5.690 13.592 1.00 3.15 N ATOM 0 H LYS A 118 8.003 -3.712 8.345 1.00 0.97 H new ATOM 0 HA LYS A 118 9.038 -6.142 9.680 1.00 1.25 H new ATOM 0 HB2 LYS A 118 6.290 -5.033 9.526 1.00 1.76 H new ATOM 0 HB3 LYS A 118 6.410 -6.719 9.063 1.00 1.76 H new ATOM 0 HG2 LYS A 118 6.781 -7.409 11.190 1.00 1.81 H new ATOM 0 HG3 LYS A 118 7.902 -6.105 11.527 1.00 1.81 H new ATOM 0 HD2 LYS A 118 5.442 -4.790 11.308 1.00 2.21 H new ATOM 0 HD3 LYS A 118 5.020 -6.295 12.099 1.00 2.21 H new ATOM 0 HE2 LYS A 118 6.507 -3.990 13.142 1.00 2.73 H new ATOM 0 HE3 LYS A 118 5.656 -5.253 14.009 1.00 2.73 H new ATOM 0 HZ1 LYS A 118 7.874 -5.522 14.601 1.00 3.15 H new ATOM 0 HZ2 LYS A 118 7.647 -6.714 13.413 1.00 3.15 H new ATOM 0 HZ3 LYS A 118 8.448 -5.268 13.023 1.00 3.15 H new ATOM 1875 N GLY A 119 8.227 -5.454 6.627 1.00 1.53 N ATOM 1876 CA GLY A 119 8.307 -5.942 5.260 1.00 2.08 C ATOM 1877 C GLY A 119 6.944 -6.088 4.608 1.00 1.57 C ATOM 1878 O GLY A 119 6.054 -5.266 4.823 1.00 1.96 O ATOM 0 H GLY A 119 8.045 -4.454 6.716 1.00 1.53 H new ATOM 0 HA2 GLY A 119 8.916 -5.257 4.670 1.00 2.08 H new ATOM 0 HA3 GLY A 119 8.814 -6.907 5.252 1.00 2.08 H new ATOM 1882 N ILE A 120 6.783 -7.137 3.805 1.00 1.17 N ATOM 1883 CA ILE A 120 5.522 -7.390 3.112 1.00 1.20 C ATOM 1884 C ILE A 120 4.703 -8.454 3.831 1.00 0.94 C ATOM 1885 O ILE A 120 5.033 -8.865 4.943 1.00 1.54 O ATOM 1886 CB ILE A 120 5.749 -7.855 1.658 1.00 1.91 C ATOM 1887 CG1 ILE A 120 7.148 -7.466 1.179 1.00 3.06 C ATOM 1888 CG2 ILE A 120 4.685 -7.272 0.738 1.00 1.88 C ATOM 1889 CD1 ILE A 120 7.894 -8.599 0.508 1.00 4.00 C ATOM 0 H ILE A 120 7.511 -7.826 3.618 1.00 1.17 H new ATOM 0 HA ILE A 120 4.981 -6.444 3.107 1.00 1.20 H new ATOM 0 HB ILE A 120 5.669 -8.942 1.629 1.00 1.91 H new ATOM 0 HG12 ILE A 120 7.066 -6.633 0.481 1.00 3.06 H new ATOM 0 HG13 ILE A 120 7.730 -7.113 2.030 1.00 3.06 H new ATOM 0 HG21 ILE A 120 4.861 -7.611 -0.283 1.00 1.88 H new ATOM 0 HG22 ILE A 120 3.700 -7.604 1.065 1.00 1.88 H new ATOM 0 HG23 ILE A 120 4.731 -6.184 0.772 1.00 1.88 H new ATOM 0 HD11 ILE A 120 8.878 -8.251 0.194 1.00 4.00 H new ATOM 0 HD12 ILE A 120 8.008 -9.425 1.210 1.00 4.00 H new ATOM 0 HD13 ILE A 120 7.334 -8.938 -0.364 1.00 4.00 H new ATOM 1901 N GLY A 121 3.638 -8.901 3.174 1.00 0.85 N ATOM 1902 CA GLY A 121 2.784 -9.921 3.742 1.00 0.94 C ATOM 1903 C GLY A 121 3.430 -11.291 3.704 1.00 1.25 C ATOM 1904 O GLY A 121 3.074 -12.178 4.479 1.00 1.83 O ATOM 0 H GLY A 121 3.352 -8.571 2.252 1.00 0.85 H new ATOM 0 HA2 GLY A 121 2.546 -9.661 4.774 1.00 0.94 H new ATOM 0 HA3 GLY A 121 1.841 -9.950 3.195 1.00 0.94 H new ATOM 1908 N GLY A 122 4.386 -11.457 2.793 1.00 1.20 N ATOM 1909 CA GLY A 122 5.078 -12.726 2.660 1.00 1.58 C ATOM 1910 C GLY A 122 6.495 -12.674 3.198 1.00 1.42 C ATOM 1911 O GLY A 122 7.309 -13.551 2.904 1.00 1.85 O ATOM 0 H GLY A 122 4.693 -10.733 2.144 1.00 1.20 H new ATOM 0 HA2 GLY A 122 4.520 -13.498 3.190 1.00 1.58 H new ATOM 0 HA3 GLY A 122 5.102 -13.015 1.609 1.00 1.58 H new ATOM 1915 N ASN A 123 6.793 -11.645 3.987 1.00 1.26 N ATOM 1916 CA ASN A 123 8.123 -11.480 4.567 1.00 1.10 C ATOM 1917 C ASN A 123 8.192 -12.097 5.961 1.00 1.27 C ATOM 1918 O ASN A 123 7.184 -12.184 6.663 1.00 1.81 O ATOM 1919 CB ASN A 123 8.491 -9.997 4.634 1.00 1.03 C ATOM 1920 CG ASN A 123 9.984 -9.762 4.533 1.00 1.90 C ATOM 1921 OD1 ASN A 123 10.784 -10.675 4.739 1.00 2.42 O ATOM 1922 ND2 ASN A 123 10.369 -8.533 4.212 1.00 2.73 N ATOM 0 H ASN A 123 6.130 -10.912 4.240 1.00 1.26 H new ATOM 0 HA ASN A 123 8.838 -11.997 3.927 1.00 1.10 H new ATOM 0 HB2 ASN A 123 7.988 -9.465 3.827 1.00 1.03 H new ATOM 0 HB3 ASN A 123 8.123 -9.577 5.570 1.00 1.03 H new ATOM 0 HD21 ASN A 123 11.362 -8.315 4.127 1.00 2.73 H new ATOM 0 HD22 ASN A 123 9.672 -7.806 4.050 1.00 2.73 H new ATOM 1929 N GLU A 124 9.389 -12.527 6.354 1.00 1.71 N ATOM 1930 CA GLU A 124 9.592 -13.138 7.663 1.00 2.13 C ATOM 1931 C GLU A 124 10.118 -12.118 8.670 1.00 2.98 C ATOM 1932 O GLU A 124 9.350 -11.533 9.433 1.00 3.46 O ATOM 1933 CB GLU A 124 10.561 -14.317 7.552 1.00 2.22 C ATOM 1934 CG GLU A 124 10.016 -15.477 6.735 1.00 2.49 C ATOM 1935 CD GLU A 124 10.076 -16.796 7.480 1.00 3.25 C ATOM 1936 OE1 GLU A 124 11.129 -17.464 7.420 1.00 3.75 O ATOM 1937 OE2 GLU A 124 9.069 -17.161 8.122 1.00 3.68 O ATOM 0 H GLU A 124 10.232 -12.463 5.784 1.00 1.71 H new ATOM 0 HA GLU A 124 8.628 -13.502 8.020 1.00 2.13 H new ATOM 0 HB2 GLU A 124 11.491 -13.971 7.101 1.00 2.22 H new ATOM 0 HB3 GLU A 124 10.805 -14.672 8.553 1.00 2.22 H new ATOM 0 HG2 GLU A 124 8.983 -15.267 6.458 1.00 2.49 H new ATOM 0 HG3 GLU A 124 10.583 -15.562 5.808 1.00 2.49 H new ATOM 1944 N GLN A 125 11.433 -11.910 8.668 1.00 3.49 N ATOM 1945 CA GLN A 125 12.057 -10.960 9.584 1.00 4.42 C ATOM 1946 C GLN A 125 12.543 -9.719 8.838 1.00 4.27 C ATOM 1947 O GLN A 125 11.823 -8.725 8.737 1.00 4.61 O ATOM 1948 CB GLN A 125 13.224 -11.622 10.323 1.00 5.31 C ATOM 1949 CG GLN A 125 13.128 -11.516 11.836 1.00 6.26 C ATOM 1950 CD GLN A 125 14.410 -11.010 12.468 1.00 7.06 C ATOM 1951 OE1 GLN A 125 15.292 -11.792 12.822 1.00 7.67 O ATOM 1952 NE2 GLN A 125 14.518 -9.695 12.613 1.00 7.33 N ATOM 0 H GLN A 125 12.085 -12.385 8.044 1.00 3.49 H new ATOM 0 HA GLN A 125 11.307 -10.649 10.312 1.00 4.42 H new ATOM 0 HB2 GLN A 125 13.269 -12.675 10.044 1.00 5.31 H new ATOM 0 HB3 GLN A 125 14.157 -11.165 9.994 1.00 5.31 H new ATOM 0 HG2 GLN A 125 12.309 -10.846 12.098 1.00 6.26 H new ATOM 0 HG3 GLN A 125 12.885 -12.494 12.250 1.00 6.26 H new ATOM 0 HE21 GLN A 125 13.761 -9.084 12.305 1.00 7.33 H new ATOM 0 HE22 GLN A 125 15.358 -9.295 13.032 1.00 7.33 H new ATOM 1961 N VAL A 126 13.767 -9.779 8.319 1.00 4.14 N ATOM 1962 CA VAL A 126 14.342 -8.656 7.586 1.00 4.18 C ATOM 1963 C VAL A 126 13.768 -8.565 6.176 1.00 3.46 C ATOM 1964 O VAL A 126 12.966 -9.405 5.767 1.00 3.81 O ATOM 1965 CB VAL A 126 15.877 -8.767 7.492 1.00 5.08 C ATOM 1966 CG1 VAL A 126 16.514 -8.578 8.859 1.00 5.82 C ATOM 1967 CG2 VAL A 126 16.283 -10.102 6.887 1.00 5.31 C ATOM 0 H VAL A 126 14.378 -10.592 8.393 1.00 4.14 H new ATOM 0 HA VAL A 126 14.083 -7.755 8.142 1.00 4.18 H new ATOM 0 HB VAL A 126 16.237 -7.974 6.837 1.00 5.08 H new ATOM 0 HG11 VAL A 126 17.597 -8.660 8.770 1.00 5.82 H new ATOM 0 HG12 VAL A 126 16.255 -7.593 9.248 1.00 5.82 H new ATOM 0 HG13 VAL A 126 16.147 -9.345 9.541 1.00 5.82 H new ATOM 0 HG21 VAL A 126 17.370 -10.160 6.830 1.00 5.31 H new ATOM 0 HG22 VAL A 126 15.909 -10.913 7.511 1.00 5.31 H new ATOM 0 HG23 VAL A 126 15.862 -10.191 5.886 1.00 5.31 H new ATOM 1977 N ASP A 127 14.189 -7.544 5.435 1.00 2.84 N ATOM 1978 CA ASP A 127 13.723 -7.347 4.068 1.00 2.27 C ATOM 1979 C ASP A 127 14.516 -8.222 3.101 1.00 2.09 C ATOM 1980 O ASP A 127 15.116 -9.219 3.507 1.00 2.74 O ATOM 1981 CB ASP A 127 13.852 -5.875 3.670 1.00 2.15 C ATOM 1982 CG ASP A 127 12.535 -5.280 3.207 1.00 1.91 C ATOM 1983 OD1 ASP A 127 12.058 -5.669 2.121 1.00 2.11 O ATOM 1984 OD2 ASP A 127 11.984 -4.425 3.931 1.00 1.97 O ATOM 0 H ASP A 127 14.852 -6.840 5.759 1.00 2.84 H new ATOM 0 HA ASP A 127 12.673 -7.635 4.018 1.00 2.27 H new ATOM 0 HB2 ASP A 127 14.226 -5.304 4.520 1.00 2.15 H new ATOM 0 HB3 ASP A 127 14.590 -5.781 2.873 1.00 2.15 H new ATOM 1989 N LYS A 128 14.519 -7.846 1.826 1.00 1.95 N ATOM 1990 CA LYS A 128 15.244 -8.602 0.811 1.00 2.34 C ATOM 1991 C LYS A 128 16.735 -8.653 1.136 1.00 2.68 C ATOM 1992 O LYS A 128 17.276 -9.716 1.440 1.00 3.34 O ATOM 1993 CB LYS A 128 15.032 -7.978 -0.569 1.00 3.08 C ATOM 1994 CG LYS A 128 14.082 -8.771 -1.454 1.00 3.86 C ATOM 1995 CD LYS A 128 13.444 -7.890 -2.515 1.00 4.75 C ATOM 1996 CE LYS A 128 13.501 -8.540 -3.887 1.00 5.70 C ATOM 1997 NZ LYS A 128 13.674 -7.535 -4.972 1.00 6.64 N ATOM 0 H LYS A 128 14.029 -7.025 1.472 1.00 1.95 H new ATOM 0 HA LYS A 128 14.855 -9.620 0.804 1.00 2.34 H new ATOM 0 HB2 LYS A 128 14.643 -6.967 -0.446 1.00 3.08 H new ATOM 0 HB3 LYS A 128 15.995 -7.890 -1.071 1.00 3.08 H new ATOM 0 HG2 LYS A 128 14.625 -9.586 -1.934 1.00 3.86 H new ATOM 0 HG3 LYS A 128 13.304 -9.224 -0.840 1.00 3.86 H new ATOM 0 HD2 LYS A 128 12.406 -7.691 -2.248 1.00 4.75 H new ATOM 0 HD3 LYS A 128 13.955 -6.928 -2.546 1.00 4.75 H new ATOM 0 HE2 LYS A 128 14.326 -9.252 -3.917 1.00 5.70 H new ATOM 0 HE3 LYS A 128 12.585 -9.106 -4.059 1.00 5.70 H new ATOM 0 HZ1 LYS A 128 13.137 -7.834 -5.811 1.00 6.64 H new ATOM 0 HZ2 LYS A 128 13.324 -6.611 -4.648 1.00 6.64 H new ATOM 0 HZ3 LYS A 128 14.682 -7.457 -5.216 1.00 6.64 H new ATOM 2011 N LEU A 129 17.387 -7.495 1.070 1.00 2.74 N ATOM 2012 CA LEU A 129 18.817 -7.397 1.358 1.00 3.44 C ATOM 2013 C LEU A 129 19.614 -8.382 0.507 1.00 3.44 C ATOM 2014 O LEU A 129 19.939 -9.482 0.952 1.00 4.06 O ATOM 2015 CB LEU A 129 19.083 -7.650 2.844 1.00 4.20 C ATOM 2016 CG LEU A 129 18.840 -6.449 3.759 1.00 5.09 C ATOM 2017 CD1 LEU A 129 17.370 -6.349 4.131 1.00 5.95 C ATOM 2018 CD2 LEU A 129 19.703 -6.547 5.009 1.00 5.63 C ATOM 0 H LEU A 129 16.948 -6.609 0.819 1.00 2.74 H new ATOM 0 HA LEU A 129 19.142 -6.387 1.109 1.00 3.44 H new ATOM 0 HB2 LEU A 129 18.451 -8.474 3.175 1.00 4.20 H new ATOM 0 HB3 LEU A 129 20.117 -7.974 2.962 1.00 4.20 H new ATOM 0 HG LEU A 129 19.119 -5.544 3.219 1.00 5.09 H new ATOM 0 HD11 LEU A 129 17.217 -5.488 4.782 1.00 5.95 H new ATOM 0 HD12 LEU A 129 16.773 -6.230 3.227 1.00 5.95 H new ATOM 0 HD13 LEU A 129 17.064 -7.257 4.651 1.00 5.95 H new ATOM 0 HD21 LEU A 129 19.517 -5.684 5.648 1.00 5.63 H new ATOM 0 HD22 LEU A 129 19.456 -7.460 5.551 1.00 5.63 H new ATOM 0 HD23 LEU A 129 20.755 -6.567 4.724 1.00 5.63 H new ATOM 2030 N VAL A 130 19.922 -7.978 -0.721 1.00 3.30 N ATOM 2031 CA VAL A 130 20.679 -8.825 -1.636 1.00 3.91 C ATOM 2032 C VAL A 130 21.755 -8.027 -2.363 1.00 3.71 C ATOM 2033 O VAL A 130 21.452 -7.181 -3.204 1.00 3.95 O ATOM 2034 CB VAL A 130 19.761 -9.492 -2.678 1.00 4.75 C ATOM 2035 CG1 VAL A 130 19.294 -10.852 -2.183 1.00 5.80 C ATOM 2036 CG2 VAL A 130 18.573 -8.597 -3.003 1.00 5.04 C ATOM 0 H VAL A 130 19.659 -7.070 -1.105 1.00 3.30 H new ATOM 0 HA VAL A 130 21.150 -9.599 -1.030 1.00 3.91 H new ATOM 0 HB VAL A 130 20.332 -9.639 -3.595 1.00 4.75 H new ATOM 0 HG11 VAL A 130 18.647 -11.309 -2.931 1.00 5.80 H new ATOM 0 HG12 VAL A 130 20.159 -11.493 -2.011 1.00 5.80 H new ATOM 0 HG13 VAL A 130 18.742 -10.730 -1.251 1.00 5.80 H new ATOM 0 HG21 VAL A 130 17.939 -9.088 -3.741 1.00 5.04 H new ATOM 0 HG22 VAL A 130 17.998 -8.412 -2.096 1.00 5.04 H new ATOM 0 HG23 VAL A 130 18.931 -7.649 -3.406 1.00 5.04 H new ATOM 2046 N SER A 131 23.013 -8.306 -2.028 1.00 3.77 N ATOM 2047 CA SER A 131 24.146 -7.620 -2.644 1.00 4.01 C ATOM 2048 C SER A 131 24.077 -6.117 -2.390 1.00 3.49 C ATOM 2049 O SER A 131 24.597 -5.624 -1.388 1.00 3.75 O ATOM 2050 CB SER A 131 24.188 -7.902 -4.148 1.00 4.82 C ATOM 2051 OG SER A 131 24.620 -9.226 -4.407 1.00 5.37 O ATOM 0 H SER A 131 23.273 -9.004 -1.332 1.00 3.77 H new ATOM 0 HA SER A 131 25.060 -8.002 -2.190 1.00 4.01 H new ATOM 0 HB2 SER A 131 23.198 -7.749 -4.578 1.00 4.82 H new ATOM 0 HB3 SER A 131 24.860 -7.195 -4.635 1.00 4.82 H new ATOM 0 HG SER A 131 24.636 -9.381 -5.374 1.00 5.37 H new ATOM 2057 N ALA A 132 23.433 -5.391 -3.299 1.00 3.18 N ATOM 2058 CA ALA A 132 23.297 -3.945 -3.169 1.00 2.91 C ATOM 2059 C ALA A 132 22.218 -3.407 -4.102 1.00 2.29 C ATOM 2060 O ALA A 132 21.486 -4.175 -4.728 1.00 2.87 O ATOM 2061 CB ALA A 132 24.628 -3.263 -3.447 1.00 3.32 C ATOM 0 H ALA A 132 22.997 -5.781 -4.134 1.00 3.18 H new ATOM 0 HA ALA A 132 22.995 -3.724 -2.145 1.00 2.91 H new ATOM 0 HB1 ALA A 132 24.512 -2.184 -3.346 1.00 3.32 H new ATOM 0 HB2 ALA A 132 25.373 -3.616 -2.734 1.00 3.32 H new ATOM 0 HB3 ALA A 132 24.954 -3.500 -4.460 1.00 3.32 H new ATOM 2067 N GLY A 133 22.127 -2.084 -4.190 1.00 1.63 N ATOM 2068 CA GLY A 133 21.136 -1.464 -5.049 1.00 1.27 C ATOM 2069 C GLY A 133 20.545 -0.205 -4.443 1.00 1.21 C ATOM 2070 O GLY A 133 19.424 0.178 -4.776 1.00 1.74 O ATOM 0 H GLY A 133 22.722 -1.430 -3.681 1.00 1.63 H new ATOM 0 HA2 GLY A 133 21.593 -1.221 -6.008 1.00 1.27 H new ATOM 0 HA3 GLY A 133 20.336 -2.177 -5.248 1.00 1.27 H new ATOM 2074 N ILE A 134 21.308 0.433 -3.551 1.00 1.04 N ATOM 2075 CA ILE A 134 20.877 1.661 -2.877 1.00 1.02 C ATOM 2076 C ILE A 134 19.375 1.641 -2.574 1.00 0.90 C ATOM 2077 O ILE A 134 18.616 2.502 -3.023 1.00 0.92 O ATOM 2078 CB ILE A 134 21.245 2.921 -3.702 1.00 1.15 C ATOM 2079 CG1 ILE A 134 20.928 4.192 -2.909 1.00 1.53 C ATOM 2080 CG2 ILE A 134 20.525 2.933 -5.044 1.00 1.28 C ATOM 2081 CD1 ILE A 134 22.024 4.592 -1.944 1.00 2.77 C ATOM 0 H ILE A 134 22.237 0.115 -3.277 1.00 1.04 H new ATOM 0 HA ILE A 134 21.413 1.707 -1.929 1.00 1.02 H new ATOM 0 HB ILE A 134 22.317 2.892 -3.899 1.00 1.15 H new ATOM 0 HG12 ILE A 134 20.752 5.011 -3.606 1.00 1.53 H new ATOM 0 HG13 ILE A 134 20.002 4.042 -2.353 1.00 1.53 H new ATOM 0 HG21 ILE A 134 20.804 3.829 -5.599 1.00 1.28 H new ATOM 0 HG22 ILE A 134 20.807 2.049 -5.616 1.00 1.28 H new ATOM 0 HG23 ILE A 134 19.448 2.929 -4.879 1.00 1.28 H new ATOM 0 HD11 ILE A 134 21.731 5.500 -1.417 1.00 2.77 H new ATOM 0 HD12 ILE A 134 22.185 3.790 -1.223 1.00 2.77 H new ATOM 0 HD13 ILE A 134 22.946 4.774 -2.496 1.00 2.77 H new ATOM 2093 N ARG A 135 18.951 0.644 -1.807 1.00 0.93 N ATOM 2094 CA ARG A 135 17.546 0.508 -1.446 1.00 0.92 C ATOM 2095 C ARG A 135 17.385 0.247 0.049 1.00 1.04 C ATOM 2096 O ARG A 135 17.238 -0.897 0.478 1.00 1.72 O ATOM 2097 CB ARG A 135 16.905 -0.627 -2.246 1.00 1.07 C ATOM 2098 CG ARG A 135 17.802 -1.844 -2.395 1.00 1.32 C ATOM 2099 CD ARG A 135 16.994 -3.108 -2.640 1.00 1.41 C ATOM 2100 NE ARG A 135 17.610 -3.963 -3.651 1.00 1.92 N ATOM 2101 CZ ARG A 135 17.125 -5.146 -4.012 1.00 2.58 C ATOM 2102 NH1 ARG A 135 16.019 -5.612 -3.447 1.00 3.01 N ATOM 2103 NH2 ARG A 135 17.741 -5.863 -4.941 1.00 3.36 N ATOM 0 H ARG A 135 19.558 -0.080 -1.424 1.00 0.93 H new ATOM 0 HA ARG A 135 17.043 1.445 -1.685 1.00 0.92 H new ATOM 0 HB2 ARG A 135 15.978 -0.926 -1.758 1.00 1.07 H new ATOM 0 HB3 ARG A 135 16.639 -0.258 -3.237 1.00 1.07 H new ATOM 0 HG2 ARG A 135 18.494 -1.688 -3.223 1.00 1.32 H new ATOM 0 HG3 ARG A 135 18.404 -1.965 -1.495 1.00 1.32 H new ATOM 0 HD2 ARG A 135 16.896 -3.663 -1.707 1.00 1.41 H new ATOM 0 HD3 ARG A 135 15.987 -2.839 -2.958 1.00 1.41 H new ATOM 0 HE ARG A 135 18.461 -3.633 -4.106 1.00 1.92 H new ATOM 0 HH11 ARG A 135 15.540 -5.062 -2.734 1.00 3.01 H new ATOM 0 HH12 ARG A 135 15.648 -6.520 -3.725 1.00 3.01 H new ATOM 0 HH21 ARG A 135 18.590 -5.507 -5.381 1.00 3.36 H new ATOM 0 HH22 ARG A 135 17.366 -6.771 -5.216 1.00 3.36 H new ATOM 2117 N LYS A 136 17.402 1.318 0.839 1.00 0.78 N ATOM 2118 CA LYS A 136 17.245 1.205 2.282 1.00 0.90 C ATOM 2119 C LYS A 136 15.840 1.633 2.685 1.00 0.85 C ATOM 2120 O LYS A 136 14.870 1.302 2.000 1.00 1.11 O ATOM 2121 CB LYS A 136 18.289 2.060 3.004 1.00 1.02 C ATOM 2122 CG LYS A 136 18.480 3.438 2.389 1.00 1.02 C ATOM 2123 CD LYS A 136 18.160 4.541 3.383 1.00 0.98 C ATOM 2124 CE LYS A 136 17.482 5.721 2.707 1.00 1.41 C ATOM 2125 NZ LYS A 136 17.635 6.975 3.495 1.00 1.74 N ATOM 0 H LYS A 136 17.523 2.273 0.502 1.00 0.78 H new ATOM 0 HA LYS A 136 17.395 0.165 2.571 1.00 0.90 H new ATOM 0 HB2 LYS A 136 17.994 2.175 4.047 1.00 1.02 H new ATOM 0 HB3 LYS A 136 19.244 1.534 2.999 1.00 1.02 H new ATOM 0 HG2 LYS A 136 19.509 3.544 2.045 1.00 1.02 H new ATOM 0 HG3 LYS A 136 17.839 3.539 1.513 1.00 1.02 H new ATOM 0 HD2 LYS A 136 17.513 4.149 4.167 1.00 0.98 H new ATOM 0 HD3 LYS A 136 19.079 4.875 3.865 1.00 0.98 H new ATOM 0 HE2 LYS A 136 17.906 5.863 1.713 1.00 1.41 H new ATOM 0 HE3 LYS A 136 16.422 5.503 2.573 1.00 1.41 H new ATOM 0 HZ1 LYS A 136 17.693 7.787 2.848 1.00 1.74 H new ATOM 0 HZ2 LYS A 136 16.815 7.092 4.124 1.00 1.74 H new ATOM 0 HZ3 LYS A 136 18.504 6.923 4.065 1.00 1.74 H new ATOM 2139 N VAL A 137 15.725 2.381 3.782 1.00 1.02 N ATOM 2140 CA VAL A 137 14.424 2.852 4.227 1.00 1.09 C ATOM 2141 C VAL A 137 13.741 3.599 3.091 1.00 1.38 C ATOM 2142 O VAL A 137 14.422 4.173 2.243 1.00 1.96 O ATOM 2143 CB VAL A 137 14.533 3.766 5.467 1.00 1.65 C ATOM 2144 CG1 VAL A 137 15.196 5.088 5.115 1.00 2.46 C ATOM 2145 CG2 VAL A 137 13.161 4.002 6.082 1.00 2.13 C ATOM 0 H VAL A 137 16.508 2.668 4.369 1.00 1.02 H new ATOM 0 HA VAL A 137 13.832 1.983 4.513 1.00 1.09 H new ATOM 0 HB VAL A 137 15.159 3.261 6.203 1.00 1.65 H new ATOM 0 HG11 VAL A 137 15.260 5.712 6.007 1.00 2.46 H new ATOM 0 HG12 VAL A 137 16.199 4.901 4.730 1.00 2.46 H new ATOM 0 HG13 VAL A 137 14.606 5.600 4.355 1.00 2.46 H new ATOM 0 HG21 VAL A 137 13.260 4.648 6.954 1.00 2.13 H new ATOM 0 HG22 VAL A 137 12.511 4.479 5.349 1.00 2.13 H new ATOM 0 HG23 VAL A 137 12.729 3.048 6.384 1.00 2.13 H new ATOM 2155 N LEU A 138 12.403 3.556 3.078 1.00 1.42 N ATOM 2156 CA LEU A 138 11.584 4.196 2.041 1.00 2.10 C ATOM 2157 C LEU A 138 11.125 3.161 1.016 1.00 2.78 C ATOM 2158 O LEU A 138 10.461 2.186 1.426 1.00 3.22 O ATOM 2159 CB LEU A 138 12.320 5.360 1.351 1.00 2.17 C ATOM 2160 CG LEU A 138 11.500 6.154 0.329 1.00 2.84 C ATOM 2161 CD1 LEU A 138 11.400 7.613 0.732 1.00 2.82 C ATOM 2162 CD2 LEU A 138 12.113 6.039 -1.056 1.00 3.79 C ATOM 2163 OXT LEU A 138 11.428 3.327 -0.181 1.00 3.18 O ATOM 0 H LEU A 138 11.855 3.074 3.790 1.00 1.42 H new ATOM 0 HA LEU A 138 10.709 4.622 2.532 1.00 2.10 H new ATOM 0 HB2 LEU A 138 12.673 6.048 2.119 1.00 2.17 H new ATOM 0 HB3 LEU A 138 13.202 4.961 0.850 1.00 2.17 H new ATOM 0 HG LEU A 138 10.496 5.731 0.305 1.00 2.84 H new ATOM 0 HD11 LEU A 138 10.813 8.156 -0.009 1.00 2.82 H new ATOM 0 HD12 LEU A 138 10.915 7.689 1.705 1.00 2.82 H new ATOM 0 HD13 LEU A 138 12.400 8.044 0.790 1.00 2.82 H new ATOM 0 HD21 LEU A 138 11.516 6.610 -1.767 1.00 3.79 H new ATOM 0 HD22 LEU A 138 13.129 6.432 -1.038 1.00 3.79 H new ATOM 0 HD23 LEU A 138 12.134 4.992 -1.359 1.00 3.79 H new TER 2175 LEU A 138