USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1049 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 113 THR OG1 : rot 160:sc= 1.04 USER MOD Set 1.2: A 139 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 115 THR OG1 : rot 180:sc= -0.246 USER MOD Set 2.2: A 137 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 130 THR OG1 : rot -15:sc= 0.866 USER MOD Set 4.1: A 117 THR OG1 : rot 180:sc= 0.72 USER MOD Set 4.2: A 135 THR OG1 : rot 116:sc= 0.806 USER MOD Set 5.1: A 111 ASN : amide:sc= -0.0927 K(o=-0.093,f=-3!) USER MOD Set 5.2: A 141 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 68 ASN : amide:sc= -1.03 K(o=-1.3,f=-2.7!) USER MOD Set 6.2: A 81 ASN :FLIP amide:sc= -0.303 F(o=-1.9,f=-1.3) USER MOD Single : A 1 GLU N :NH3+ -167:sc=-0.00814 (180deg=-0.187) USER MOD Single : A 4 GLN : amide:sc= 1.15 K(o=1.1,f=-1.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 32:sc= 0.291 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.515 F(o=-2.1!,f=-0.51) USER MOD Single : A 43 LYS NZ :NH3+ 143:sc= -3.02! (180deg=-5.64!) USER MOD Single : A 46 THR OG1 : rot -22:sc= 0.11 USER MOD Single : A 48 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7!) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0219 (180deg=-0.238) USER MOD Single : A 58 SER OG : rot 129:sc= 1.06 USER MOD Single : A 60 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.636 K(o=-0.64,f=-3.8!) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0.918 (180deg=0.794) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.867 K(o=0.87,f=-0.017) USER MOD Single : A 75 SER OG : rot 4:sc= 1.73 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 72:sc= 0.761 USER MOD Single : A 85 TYR OH : rot 151:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 0.555 (180deg=-0.00289) USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 104 GLN : amide:sc= 0.393 K(o=0.39,f=-0.84) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.685 K(o=0.69,f=-8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 112 TYR OH : rot -98:sc= 1.17 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN :FLIP amide:sc= 0.803 F(o=-1.1,f=0.8) USER MOD Single : A 132 SER OG : rot -130:sc= -0.15 USER MOD Single : A 134 THR OG1 : rot 171:sc= -1.99! USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -11:sc= -0.907! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.713 2.184 -9.371 1.00 4.07 N ATOM 2 CA GLU A 1 -22.017 1.760 -8.137 1.00 3.34 C ATOM 3 C GLU A 1 -20.703 1.075 -8.479 1.00 2.61 C ATOM 4 O GLU A 1 -20.640 -0.146 -8.621 1.00 3.01 O ATOM 5 CB GLU A 1 -22.890 0.813 -7.314 1.00 4.00 C ATOM 6 CG GLU A 1 -24.184 1.435 -6.827 1.00 4.80 C ATOM 7 CD GLU A 1 -25.042 0.447 -6.065 1.00 5.32 C ATOM 8 OE1 GLU A 1 -25.691 -0.404 -6.711 1.00 5.73 O ATOM 9 OE2 GLU A 1 -25.067 0.508 -4.818 1.00 5.64 O ATOM 0 H1 GLU A 1 -23.486 2.835 -9.127 1.00 4.07 H new ATOM 0 H2 GLU A 1 -22.040 2.666 -10.001 1.00 4.07 H new ATOM 0 H3 GLU A 1 -23.103 1.349 -9.854 1.00 4.07 H new ATOM 0 HA GLU A 1 -21.815 2.652 -7.544 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -23.125 -0.064 -7.917 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -22.319 0.465 -6.453 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -23.957 2.287 -6.186 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -24.744 1.818 -7.680 1.00 4.80 H new ATOM 16 N GLU A 2 -19.665 1.874 -8.644 1.00 1.89 N ATOM 17 CA GLU A 2 -18.335 1.368 -8.924 1.00 1.43 C ATOM 18 C GLU A 2 -17.315 2.349 -8.389 1.00 1.13 C ATOM 19 O GLU A 2 -17.006 3.353 -9.032 1.00 1.31 O ATOM 20 CB GLU A 2 -18.128 1.187 -10.422 1.00 1.72 C ATOM 21 CG GLU A 2 -16.784 0.580 -10.788 1.00 1.73 C ATOM 22 CD GLU A 2 -16.578 0.516 -12.285 1.00 2.37 C ATOM 23 OE1 GLU A 2 -16.981 -0.489 -12.906 1.00 2.54 O ATOM 24 OE2 GLU A 2 -16.029 1.480 -12.852 1.00 3.08 O ATOM 0 H GLU A 2 -19.721 2.891 -8.588 1.00 1.89 H new ATOM 0 HA GLU A 2 -18.217 0.398 -8.441 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -18.922 0.551 -10.815 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -18.224 2.156 -10.912 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -15.986 1.170 -10.337 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -16.714 -0.424 -10.369 1.00 1.73 H new ATOM 31 N CYS A 3 -16.812 2.073 -7.210 1.00 1.08 N ATOM 32 CA CYS A 3 -15.901 2.992 -6.560 1.00 0.96 C ATOM 33 C CYS A 3 -14.479 2.752 -7.026 1.00 0.83 C ATOM 34 O CYS A 3 -13.802 1.828 -6.565 1.00 0.96 O ATOM 35 CB CYS A 3 -15.981 2.887 -5.041 1.00 1.25 C ATOM 36 SG CYS A 3 -15.115 4.249 -4.186 1.00 1.43 S ATOM 0 H CYS A 3 -17.015 1.225 -6.681 1.00 1.08 H new ATOM 0 HA CYS A 3 -16.202 4.001 -6.841 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.028 2.882 -4.737 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -15.553 1.936 -4.725 1.00 1.25 H new ATOM 41 N GLN A 4 -14.035 3.580 -7.953 1.00 0.67 N ATOM 42 CA GLN A 4 -12.680 3.495 -8.450 1.00 0.59 C ATOM 43 C GLN A 4 -11.741 4.293 -7.563 1.00 0.54 C ATOM 44 O GLN A 4 -12.089 5.370 -7.077 1.00 0.53 O ATOM 45 CB GLN A 4 -12.591 4.005 -9.886 1.00 0.59 C ATOM 46 CG GLN A 4 -13.254 3.092 -10.902 1.00 1.45 C ATOM 47 CD GLN A 4 -13.025 3.556 -12.327 1.00 1.65 C ATOM 48 OE1 GLN A 4 -12.022 4.205 -12.628 1.00 2.29 O ATOM 49 NE2 GLN A 4 -13.938 3.207 -13.215 1.00 1.92 N ATOM 0 H GLN A 4 -14.596 4.319 -8.376 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.383 2.446 -8.435 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.053 4.991 -9.941 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -11.542 4.129 -10.153 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -12.867 2.080 -10.785 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -14.325 3.048 -10.704 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -14.754 2.669 -12.923 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -13.827 3.475 -14.193 1.00 1.92 H new ATOM 58 N VAL A 5 -10.565 3.741 -7.332 1.00 0.56 N ATOM 59 CA VAL A 5 -9.534 4.431 -6.583 1.00 0.57 C ATOM 60 C VAL A 5 -8.375 4.786 -7.511 1.00 0.57 C ATOM 61 O VAL A 5 -7.825 3.922 -8.200 1.00 0.66 O ATOM 62 CB VAL A 5 -9.031 3.578 -5.389 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.643 2.182 -5.841 1.00 1.00 C ATOM 64 CG2 VAL A 5 -7.860 4.256 -4.694 1.00 1.51 C ATOM 0 H VAL A 5 -10.300 2.811 -7.655 1.00 0.56 H new ATOM 0 HA VAL A 5 -9.963 5.346 -6.174 1.00 0.57 H new ATOM 0 HB VAL A 5 -9.850 3.489 -4.676 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.294 1.606 -4.984 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -9.509 1.688 -6.282 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -7.847 2.248 -6.582 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.525 3.639 -3.860 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -7.041 4.385 -5.402 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -8.173 5.231 -4.321 1.00 1.51 H new ATOM 74 N ARG A 6 -8.033 6.063 -7.561 1.00 0.57 N ATOM 75 CA ARG A 6 -6.944 6.515 -8.409 1.00 0.64 C ATOM 76 C ARG A 6 -5.654 6.627 -7.616 1.00 0.58 C ATOM 77 O ARG A 6 -5.468 7.551 -6.822 1.00 0.65 O ATOM 78 CB ARG A 6 -7.296 7.838 -9.093 1.00 0.80 C ATOM 79 CG ARG A 6 -8.384 7.679 -10.141 1.00 1.47 C ATOM 80 CD ARG A 6 -8.655 8.970 -10.895 1.00 1.67 C ATOM 81 NE ARG A 6 -9.597 8.749 -11.993 1.00 1.92 N ATOM 82 CZ ARG A 6 -10.089 9.706 -12.778 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.751 10.979 -12.596 1.00 3.23 N ATOM 84 NH2 ARG A 6 -10.922 9.379 -13.755 1.00 3.57 N ATOM 0 H ARG A 6 -8.492 6.801 -7.027 1.00 0.57 H new ATOM 0 HA ARG A 6 -6.790 5.771 -9.191 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -7.622 8.557 -8.341 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.402 8.250 -9.561 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -8.093 6.903 -10.848 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.302 7.343 -9.659 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -9.057 9.717 -10.211 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -7.720 9.369 -11.288 1.00 1.67 H new ATOM 0 HE ARG A 6 -9.899 7.791 -12.170 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.107 11.234 -11.847 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -10.136 11.701 -13.205 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -11.180 8.403 -13.900 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -11.305 10.103 -14.362 1.00 3.57 H new ATOM 98 N VAL A 7 -4.781 5.654 -7.820 1.00 0.58 N ATOM 99 CA VAL A 7 -3.488 5.619 -7.160 1.00 0.57 C ATOM 100 C VAL A 7 -2.406 6.044 -8.142 1.00 0.68 C ATOM 101 O VAL A 7 -2.202 5.396 -9.168 1.00 0.85 O ATOM 102 CB VAL A 7 -3.162 4.208 -6.619 1.00 0.64 C ATOM 103 CG1 VAL A 7 -1.824 4.199 -5.890 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.274 3.718 -5.703 1.00 1.26 C ATOM 0 H VAL A 7 -4.949 4.867 -8.447 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.524 6.306 -6.315 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.088 3.528 -7.468 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -1.618 3.195 -5.519 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.033 4.501 -6.577 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -1.862 4.895 -5.052 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.028 2.723 -5.332 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.381 4.403 -4.862 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.211 3.676 -6.258 1.00 1.26 H new ATOM 114 N GLY A 8 -1.744 7.149 -7.845 1.00 0.77 N ATOM 115 CA GLY A 8 -0.699 7.639 -8.717 1.00 0.96 C ATOM 116 C GLY A 8 0.600 6.884 -8.540 1.00 0.75 C ATOM 117 O GLY A 8 0.889 6.384 -7.452 1.00 0.86 O ATOM 0 H GLY A 8 -1.911 7.717 -7.014 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.026 7.556 -9.754 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -0.531 8.698 -8.519 1.00 0.96 H new ATOM 121 N ASP A 9 1.381 6.798 -9.608 1.00 0.57 N ATOM 122 CA ASP A 9 2.667 6.117 -9.559 1.00 0.45 C ATOM 123 C ASP A 9 3.678 6.979 -8.817 1.00 0.50 C ATOM 124 O ASP A 9 4.073 8.044 -9.294 1.00 0.73 O ATOM 125 CB ASP A 9 3.186 5.815 -10.968 1.00 0.56 C ATOM 126 CG ASP A 9 2.216 5.000 -11.800 1.00 1.37 C ATOM 127 OD1 ASP A 9 2.128 3.773 -11.597 1.00 2.18 O ATOM 128 OD2 ASP A 9 1.550 5.587 -12.682 1.00 1.77 O ATOM 0 H ASP A 9 1.146 7.192 -10.519 1.00 0.57 H new ATOM 0 HA ASP A 9 2.532 5.172 -9.033 1.00 0.45 H new ATOM 0 HB2 ASP A 9 3.394 6.754 -11.481 1.00 0.56 H new ATOM 0 HB3 ASP A 9 4.131 5.277 -10.893 1.00 0.56 H new ATOM 133 N LEU A 10 4.086 6.523 -7.646 1.00 0.52 N ATOM 134 CA LEU A 10 5.004 7.284 -6.814 1.00 0.65 C ATOM 135 C LEU A 10 6.444 6.875 -7.069 1.00 0.49 C ATOM 136 O LEU A 10 6.931 5.907 -6.494 1.00 0.57 O ATOM 137 CB LEU A 10 4.676 7.085 -5.335 1.00 0.95 C ATOM 138 CG LEU A 10 3.346 7.667 -4.863 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.117 7.318 -3.404 1.00 1.05 C ATOM 140 CD2 LEU A 10 3.314 9.176 -5.057 1.00 1.41 C ATOM 0 H LEU A 10 3.797 5.629 -7.249 1.00 0.52 H new ATOM 0 HA LEU A 10 4.887 8.336 -7.074 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.678 6.016 -5.123 1.00 0.95 H new ATOM 0 HB3 LEU A 10 5.476 7.529 -4.742 1.00 0.95 H new ATOM 0 HG LEU A 10 2.547 7.232 -5.463 1.00 0.76 H new ATOM 0 HD11 LEU A 10 2.166 7.737 -3.075 1.00 1.05 H new ATOM 0 HD12 LEU A 10 3.096 6.234 -3.288 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.924 7.732 -2.800 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.356 9.567 -4.713 1.00 1.41 H new ATOM 0 HD22 LEU A 10 4.120 9.634 -4.483 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.443 9.410 -6.114 1.00 1.41 H new ATOM 152 N THR A 11 7.120 7.587 -7.954 1.00 0.49 N ATOM 153 CA THR A 11 8.548 7.392 -8.122 1.00 0.47 C ATOM 154 C THR A 11 9.292 8.410 -7.270 1.00 0.53 C ATOM 155 O THR A 11 9.250 9.609 -7.543 1.00 0.66 O ATOM 156 CB THR A 11 8.969 7.541 -9.594 1.00 0.63 C ATOM 157 OG1 THR A 11 8.139 6.713 -10.419 1.00 1.03 O ATOM 158 CG2 THR A 11 10.429 7.152 -9.784 1.00 0.99 C ATOM 0 H THR A 11 6.709 8.297 -8.560 1.00 0.49 H new ATOM 0 HA THR A 11 8.797 6.379 -7.806 1.00 0.47 H new ATOM 0 HB THR A 11 8.850 8.585 -9.882 1.00 0.63 H new ATOM 0 HG1 THR A 11 8.408 6.811 -11.356 1.00 1.03 H new ATOM 0 HG21 THR A 11 10.702 7.266 -10.833 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.060 7.797 -9.172 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.571 6.114 -9.483 1.00 0.99 H new ATOM 166 N VAL A 12 9.982 7.930 -6.246 1.00 0.52 N ATOM 167 CA VAL A 12 10.632 8.816 -5.291 1.00 0.63 C ATOM 168 C VAL A 12 12.059 8.361 -5.033 1.00 0.48 C ATOM 169 O VAL A 12 12.345 7.161 -5.016 1.00 0.57 O ATOM 170 CB VAL A 12 9.876 8.865 -3.938 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.349 10.039 -3.097 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.370 8.935 -4.144 1.00 1.45 C ATOM 0 H VAL A 12 10.106 6.936 -6.055 1.00 0.52 H new ATOM 0 HA VAL A 12 10.626 9.813 -5.731 1.00 0.63 H new ATOM 0 HB VAL A 12 10.100 7.941 -3.405 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.805 10.053 -2.153 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.416 9.938 -2.899 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.166 10.969 -3.635 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.871 8.968 -3.175 1.00 1.45 H new ATOM 0 HG22 VAL A 12 8.122 9.832 -4.711 1.00 1.45 H new ATOM 0 HG23 VAL A 12 8.037 8.055 -4.694 1.00 1.45 H new ATOM 182 N ALA A 13 12.949 9.317 -4.843 1.00 0.44 N ATOM 183 CA ALA A 13 14.326 9.013 -4.510 1.00 0.43 C ATOM 184 C ALA A 13 14.556 9.211 -3.017 1.00 0.45 C ATOM 185 O ALA A 13 14.784 10.328 -2.565 1.00 0.57 O ATOM 186 CB ALA A 13 15.262 9.891 -5.323 1.00 0.59 C ATOM 0 H ALA A 13 12.741 10.313 -4.914 1.00 0.44 H new ATOM 0 HA ALA A 13 14.534 7.971 -4.754 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.295 9.656 -5.067 1.00 0.59 H new ATOM 0 HB2 ALA A 13 15.101 9.708 -6.385 1.00 0.59 H new ATOM 0 HB3 ALA A 13 15.062 10.939 -5.101 1.00 0.59 H new ATOM 192 N LYS A 14 14.483 8.117 -2.264 1.00 0.43 N ATOM 193 CA LYS A 14 14.598 8.156 -0.806 1.00 0.50 C ATOM 194 C LYS A 14 15.301 6.903 -0.293 1.00 0.41 C ATOM 195 O LYS A 14 15.570 5.970 -1.054 1.00 0.41 O ATOM 196 CB LYS A 14 13.210 8.238 -0.147 1.00 0.67 C ATOM 197 CG LYS A 14 12.486 9.575 -0.291 1.00 1.47 C ATOM 198 CD LYS A 14 13.027 10.630 0.666 1.00 2.23 C ATOM 199 CE LYS A 14 14.247 11.335 0.101 1.00 2.52 C ATOM 200 NZ LYS A 14 14.865 12.260 1.087 1.00 3.42 N ATOM 0 H LYS A 14 14.343 7.181 -2.644 1.00 0.43 H new ATOM 0 HA LYS A 14 15.178 9.042 -0.547 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.580 7.457 -0.572 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.319 8.017 0.915 1.00 0.67 H new ATOM 0 HG2 LYS A 14 12.586 9.932 -1.316 1.00 1.47 H new ATOM 0 HG3 LYS A 14 11.421 9.431 -0.106 1.00 1.47 H new ATOM 0 HD2 LYS A 14 12.248 11.364 0.875 1.00 2.23 H new ATOM 0 HD3 LYS A 14 13.286 10.161 1.615 1.00 2.23 H new ATOM 0 HE2 LYS A 14 14.982 10.593 -0.210 1.00 2.52 H new ATOM 0 HE3 LYS A 14 13.962 11.894 -0.790 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 15.694 12.720 0.659 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 14.172 12.984 1.365 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 15.161 11.724 1.927 1.00 3.42 H new ATOM 214 N THR A 15 15.589 6.884 0.998 1.00 0.46 N ATOM 215 CA THR A 15 16.118 5.701 1.653 1.00 0.44 C ATOM 216 C THR A 15 15.034 5.066 2.526 1.00 0.44 C ATOM 217 O THR A 15 13.984 5.667 2.741 1.00 0.50 O ATOM 218 CB THR A 15 17.343 6.051 2.517 1.00 0.49 C ATOM 219 OG1 THR A 15 17.024 7.128 3.408 1.00 0.63 O ATOM 220 CG2 THR A 15 18.527 6.443 1.650 1.00 0.52 C ATOM 0 H THR A 15 15.463 7.684 1.618 1.00 0.46 H new ATOM 0 HA THR A 15 16.431 4.994 0.885 1.00 0.44 H new ATOM 0 HB THR A 15 17.613 5.167 3.094 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.808 7.343 3.955 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.379 6.685 2.285 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.788 5.613 0.994 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.265 7.313 1.048 1.00 0.52 H new ATOM 228 N ARG A 16 15.271 3.851 3.023 1.00 0.40 N ATOM 229 CA ARG A 16 14.293 3.200 3.897 1.00 0.43 C ATOM 230 C ARG A 16 14.552 3.634 5.327 1.00 0.46 C ATOM 231 O ARG A 16 13.717 3.451 6.205 1.00 0.55 O ATOM 232 CB ARG A 16 14.318 1.659 3.801 1.00 0.50 C ATOM 233 CG ARG A 16 14.064 1.113 2.400 1.00 0.57 C ATOM 234 CD ARG A 16 15.304 1.213 1.523 1.00 0.68 C ATOM 235 NE ARG A 16 14.984 1.106 0.105 1.00 1.22 N ATOM 236 CZ ARG A 16 15.051 2.135 -0.746 1.00 2.43 C ATOM 237 NH1 ARG A 16 15.427 3.326 -0.303 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.744 1.975 -2.029 1.00 3.14 N ATOM 0 H ARG A 16 16.114 3.306 2.841 1.00 0.40 H new ATOM 0 HA ARG A 16 13.301 3.510 3.568 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.287 1.301 4.148 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.567 1.252 4.478 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.749 0.072 2.467 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.246 1.665 1.937 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.804 2.163 1.710 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.005 0.424 1.796 1.00 0.68 H new ATOM 0 HE ARG A 16 14.694 0.198 -0.257 1.00 1.22 H new ATOM 0 HH11 ARG A 16 15.663 3.453 0.681 1.00 3.01 H new ATOM 0 HH12 ARG A 16 15.481 4.116 -0.946 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.454 1.060 -2.374 1.00 3.14 H new ATOM 0 HH22 ARG A 16 14.799 2.767 -2.669 1.00 3.14 H new ATOM 252 N GLY A 17 15.735 4.203 5.543 1.00 0.47 N ATOM 253 CA GLY A 17 16.063 4.793 6.828 1.00 0.58 C ATOM 254 C GLY A 17 15.198 6.000 7.123 1.00 0.61 C ATOM 255 O GLY A 17 15.011 6.372 8.280 1.00 0.75 O ATOM 0 H GLY A 17 16.476 4.266 4.845 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.932 4.050 7.614 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.113 5.086 6.837 1.00 0.58 H new ATOM 259 N GLN A 18 14.675 6.609 6.060 1.00 0.58 N ATOM 260 CA GLN A 18 13.691 7.680 6.181 1.00 0.70 C ATOM 261 C GLN A 18 12.472 7.174 6.941 1.00 0.64 C ATOM 262 O GLN A 18 11.807 7.923 7.661 1.00 0.72 O ATOM 263 CB GLN A 18 13.274 8.159 4.781 1.00 0.86 C ATOM 264 CG GLN A 18 12.075 9.099 4.771 1.00 1.02 C ATOM 265 CD GLN A 18 12.380 10.453 5.380 1.00 1.49 C ATOM 266 OE1 GLN A 18 12.802 11.379 4.687 1.00 2.00 O ATOM 267 NE2 GLN A 18 12.163 10.581 6.680 1.00 2.17 N ATOM 0 H GLN A 18 14.920 6.375 5.098 1.00 0.58 H new ATOM 0 HA GLN A 18 14.130 8.514 6.728 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.120 8.664 4.315 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.044 7.289 4.166 1.00 0.86 H new ATOM 0 HG2 GLN A 18 11.736 9.236 3.744 1.00 1.02 H new ATOM 0 HG3 GLN A 18 11.253 8.637 5.318 1.00 1.02 H new ATOM 0 HE21 GLN A 18 11.813 9.789 7.219 1.00 2.17 H new ATOM 0 HE22 GLN A 18 12.346 11.472 7.142 1.00 2.17 H new ATOM 276 N LEU A 19 12.202 5.891 6.782 1.00 0.60 N ATOM 277 CA LEU A 19 11.061 5.267 7.411 1.00 0.62 C ATOM 278 C LEU A 19 11.494 4.593 8.710 1.00 0.78 C ATOM 279 O LEU A 19 12.146 3.549 8.700 1.00 1.61 O ATOM 280 CB LEU A 19 10.438 4.235 6.466 1.00 0.62 C ATOM 281 CG LEU A 19 10.392 4.633 4.988 1.00 0.52 C ATOM 282 CD1 LEU A 19 9.875 3.481 4.142 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.527 5.861 4.789 1.00 0.89 C ATOM 0 H LEU A 19 12.767 5.258 6.215 1.00 0.60 H new ATOM 0 HA LEU A 19 10.316 6.030 7.636 1.00 0.62 H new ATOM 0 HB2 LEU A 19 10.997 3.303 6.556 1.00 0.62 H new ATOM 0 HB3 LEU A 19 9.421 4.030 6.800 1.00 0.62 H new ATOM 0 HG LEU A 19 11.406 4.872 4.669 1.00 0.52 H new ATOM 0 HD11 LEU A 19 9.849 3.782 3.095 1.00 0.92 H new ATOM 0 HD12 LEU A 19 10.535 2.621 4.256 1.00 0.92 H new ATOM 0 HD13 LEU A 19 8.870 3.213 4.468 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.509 6.126 3.732 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.513 5.650 5.128 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.937 6.692 5.364 1.00 0.89 H new ATOM 295 N THR A 20 11.151 5.202 9.826 1.00 0.68 N ATOM 296 CA THR A 20 11.479 4.650 11.124 1.00 0.69 C ATOM 297 C THR A 20 10.209 4.108 11.772 1.00 0.66 C ATOM 298 O THR A 20 9.677 4.682 12.722 1.00 0.73 O ATOM 299 CB THR A 20 12.189 5.692 12.031 1.00 0.80 C ATOM 300 OG1 THR A 20 12.385 5.165 13.349 1.00 1.51 O ATOM 301 CG2 THR A 20 11.409 6.999 12.108 1.00 1.65 C ATOM 0 H THR A 20 10.642 6.085 9.860 1.00 0.68 H new ATOM 0 HA THR A 20 12.186 3.831 10.992 1.00 0.69 H new ATOM 0 HB THR A 20 13.159 5.903 11.581 1.00 0.80 H new ATOM 0 HG1 THR A 20 12.835 5.835 13.906 1.00 1.51 H new ATOM 0 HG21 THR A 20 11.939 7.701 12.752 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.312 7.424 11.109 1.00 1.65 H new ATOM 0 HG23 THR A 20 10.418 6.807 12.518 1.00 1.65 H new ATOM 309 N ASP A 21 9.719 3.007 11.202 1.00 0.61 N ATOM 310 CA ASP A 21 8.444 2.402 11.590 1.00 0.61 C ATOM 311 C ASP A 21 7.283 3.313 11.208 1.00 0.58 C ATOM 312 O ASP A 21 6.664 3.129 10.165 1.00 0.73 O ATOM 313 CB ASP A 21 8.406 2.063 13.086 1.00 0.69 C ATOM 314 CG ASP A 21 7.036 1.600 13.545 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.517 0.615 12.970 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.476 2.203 14.478 1.00 1.83 O ATOM 0 H ASP A 21 10.198 2.507 10.453 1.00 0.61 H new ATOM 0 HA ASP A 21 8.343 1.464 11.045 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.138 1.284 13.297 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.700 2.941 13.661 1.00 0.69 H new ATOM 321 N ALA A 22 7.025 4.327 12.016 1.00 0.65 N ATOM 322 CA ALA A 22 5.935 5.241 11.745 1.00 0.68 C ATOM 323 C ALA A 22 6.459 6.537 11.134 1.00 0.62 C ATOM 324 O ALA A 22 6.360 7.617 11.724 1.00 0.72 O ATOM 325 CB ALA A 22 5.133 5.511 13.006 1.00 0.82 C ATOM 0 H ALA A 22 7.555 4.536 12.862 1.00 0.65 H new ATOM 0 HA ALA A 22 5.267 4.776 11.020 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.319 6.200 12.779 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.721 4.575 13.383 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.782 5.952 13.762 1.00 0.82 H new ATOM 331 N ALA A 23 7.040 6.401 9.951 1.00 0.59 N ATOM 332 CA ALA A 23 7.484 7.533 9.157 1.00 0.59 C ATOM 333 C ALA A 23 7.241 7.230 7.690 1.00 0.64 C ATOM 334 O ALA A 23 7.760 6.253 7.160 1.00 0.79 O ATOM 335 CB ALA A 23 8.953 7.837 9.413 1.00 0.71 C ATOM 0 H ALA A 23 7.217 5.496 9.514 1.00 0.59 H new ATOM 0 HA ALA A 23 6.917 8.419 9.443 1.00 0.59 H new ATOM 0 HB1 ALA A 23 9.259 8.689 8.806 1.00 0.71 H new ATOM 0 HB2 ALA A 23 9.097 8.072 10.467 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.556 6.968 9.149 1.00 0.71 H new ATOM 341 N PRO A 24 6.395 8.033 7.042 1.00 0.62 N ATOM 342 CA PRO A 24 6.011 7.844 5.649 1.00 0.72 C ATOM 343 C PRO A 24 6.911 8.585 4.660 1.00 0.78 C ATOM 344 O PRO A 24 7.666 9.487 5.032 1.00 1.12 O ATOM 345 CB PRO A 24 4.610 8.440 5.630 1.00 0.79 C ATOM 346 CG PRO A 24 4.673 9.568 6.606 1.00 0.75 C ATOM 347 CD PRO A 24 5.705 9.185 7.641 1.00 0.63 C ATOM 0 HA PRO A 24 6.081 6.801 5.341 1.00 0.72 H new ATOM 0 HB2 PRO A 24 4.341 8.791 4.634 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.861 7.704 5.921 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.950 10.497 6.107 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.701 9.733 7.071 1.00 0.75 H new ATOM 0 HD2 PRO A 24 6.395 10.005 7.840 1.00 0.63 H new ATOM 0 HD3 PRO A 24 5.240 8.922 8.591 1.00 0.63 H new ATOM 355 N ILE A 25 6.822 8.186 3.399 1.00 0.58 N ATOM 356 CA ILE A 25 7.523 8.867 2.314 1.00 0.64 C ATOM 357 C ILE A 25 6.538 9.423 1.296 1.00 0.59 C ATOM 358 O ILE A 25 6.530 10.620 1.011 1.00 0.95 O ATOM 359 CB ILE A 25 8.498 7.932 1.576 1.00 0.92 C ATOM 360 CG1 ILE A 25 7.962 6.500 1.578 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.890 8.013 2.183 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.783 5.535 0.750 1.00 2.58 C ATOM 0 H ILE A 25 6.266 7.386 3.098 1.00 0.58 H new ATOM 0 HA ILE A 25 8.087 9.676 2.777 1.00 0.64 H new ATOM 0 HB ILE A 25 8.579 8.257 0.539 1.00 0.92 H new ATOM 0 HG12 ILE A 25 7.923 6.139 2.606 1.00 1.73 H new ATOM 0 HG13 ILE A 25 6.939 6.505 1.203 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.561 7.344 1.645 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.261 9.035 2.108 1.00 1.37 H new ATOM 0 HG23 ILE A 25 9.847 7.718 3.231 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.338 4.541 0.802 1.00 2.58 H new ATOM 0 HD12 ILE A 25 8.802 5.870 -0.287 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.801 5.498 1.138 1.00 2.58 H new ATOM 374 N GLY A 26 5.714 8.541 0.746 1.00 0.62 N ATOM 375 CA GLY A 26 4.767 8.944 -0.270 1.00 0.74 C ATOM 376 C GLY A 26 3.329 8.767 0.173 1.00 0.56 C ATOM 377 O GLY A 26 2.804 7.655 0.157 1.00 0.65 O ATOM 0 H GLY A 26 5.686 7.550 0.988 1.00 0.62 H new ATOM 0 HA2 GLY A 26 4.938 9.989 -0.527 1.00 0.74 H new ATOM 0 HA3 GLY A 26 4.939 8.361 -1.174 1.00 0.74 H new ATOM 381 N PRO A 27 2.682 9.848 0.619 1.00 0.48 N ATOM 382 CA PRO A 27 1.263 9.836 0.949 1.00 0.44 C ATOM 383 C PRO A 27 0.382 9.961 -0.297 1.00 0.48 C ATOM 384 O PRO A 27 0.272 11.035 -0.892 1.00 0.61 O ATOM 385 CB PRO A 27 1.099 11.057 1.855 1.00 0.51 C ATOM 386 CG PRO A 27 2.184 11.998 1.441 1.00 0.66 C ATOM 387 CD PRO A 27 3.299 11.163 0.859 1.00 0.67 C ATOM 0 HA PRO A 27 0.957 8.902 1.420 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.116 11.510 1.731 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.194 10.784 2.906 1.00 0.51 H new ATOM 0 HG2 PRO A 27 1.814 12.713 0.706 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.540 12.575 2.295 1.00 0.66 H new ATOM 0 HD2 PRO A 27 3.681 11.598 -0.065 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.141 11.088 1.548 1.00 0.67 H new ATOM 395 N VAL A 28 -0.224 8.855 -0.700 1.00 0.45 N ATOM 396 CA VAL A 28 -1.106 8.851 -1.854 1.00 0.54 C ATOM 397 C VAL A 28 -2.431 9.503 -1.489 1.00 0.57 C ATOM 398 O VAL A 28 -3.071 9.118 -0.505 1.00 0.58 O ATOM 399 CB VAL A 28 -1.390 7.423 -2.371 1.00 0.65 C ATOM 400 CG1 VAL A 28 -2.121 7.464 -3.705 1.00 1.18 C ATOM 401 CG2 VAL A 28 -0.109 6.613 -2.481 1.00 1.07 C ATOM 0 H VAL A 28 -0.120 7.949 -0.244 1.00 0.45 H new ATOM 0 HA VAL A 28 -0.601 9.407 -2.644 1.00 0.54 H new ATOM 0 HB VAL A 28 -2.036 6.929 -1.645 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -2.309 6.447 -4.048 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -3.069 7.988 -3.584 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -1.509 7.987 -4.440 1.00 1.18 H new ATOM 0 HG21 VAL A 28 -0.341 5.613 -2.847 1.00 1.07 H new ATOM 0 HG22 VAL A 28 0.574 7.104 -3.175 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.361 6.540 -1.500 1.00 1.07 H new ATOM 411 N THR A 29 -2.832 10.499 -2.259 1.00 0.61 N ATOM 412 CA THR A 29 -4.110 11.140 -2.036 1.00 0.67 C ATOM 413 C THR A 29 -5.231 10.331 -2.696 1.00 0.65 C ATOM 414 O THR A 29 -5.637 10.583 -3.832 1.00 0.75 O ATOM 415 CB THR A 29 -4.110 12.619 -2.509 1.00 0.79 C ATOM 416 OG1 THR A 29 -5.403 13.211 -2.314 1.00 1.64 O ATOM 417 CG2 THR A 29 -3.691 12.752 -3.969 1.00 1.37 C ATOM 0 H THR A 29 -2.294 10.877 -3.038 1.00 0.61 H new ATOM 0 HA THR A 29 -4.293 11.162 -0.962 1.00 0.67 H new ATOM 0 HB THR A 29 -3.376 13.150 -1.903 1.00 0.79 H new ATOM 0 HG1 THR A 29 -5.830 12.812 -1.528 1.00 1.64 H new ATOM 0 HG21 THR A 29 -3.705 13.803 -4.257 1.00 1.37 H new ATOM 0 HG22 THR A 29 -2.684 12.354 -4.096 1.00 1.37 H new ATOM 0 HG23 THR A 29 -4.384 12.194 -4.599 1.00 1.37 H new ATOM 425 N VAL A 30 -5.691 9.319 -1.976 1.00 0.62 N ATOM 426 CA VAL A 30 -6.736 8.440 -2.469 1.00 0.61 C ATOM 427 C VAL A 30 -8.061 9.171 -2.551 1.00 0.62 C ATOM 428 O VAL A 30 -8.608 9.588 -1.535 1.00 0.87 O ATOM 429 CB VAL A 30 -6.909 7.208 -1.559 1.00 0.77 C ATOM 430 CG1 VAL A 30 -8.087 6.356 -2.010 1.00 0.76 C ATOM 431 CG2 VAL A 30 -5.634 6.383 -1.533 1.00 1.01 C ATOM 0 H VAL A 30 -5.353 9.087 -1.042 1.00 0.62 H new ATOM 0 HA VAL A 30 -6.433 8.112 -3.464 1.00 0.61 H new ATOM 0 HB VAL A 30 -7.116 7.561 -0.549 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -8.186 5.494 -1.351 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -9.001 6.949 -1.972 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.919 6.014 -3.031 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -5.774 5.517 -0.886 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -5.397 6.047 -2.543 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.814 6.992 -1.152 1.00 1.01 H new ATOM 441 N GLN A 31 -8.569 9.318 -3.759 1.00 0.49 N ATOM 442 CA GLN A 31 -9.889 9.874 -3.962 1.00 0.52 C ATOM 443 C GLN A 31 -10.823 8.777 -4.454 1.00 0.49 C ATOM 444 O GLN A 31 -10.469 7.998 -5.342 1.00 0.54 O ATOM 445 CB GLN A 31 -9.845 11.047 -4.946 1.00 0.62 C ATOM 446 CG GLN A 31 -9.308 10.696 -6.323 1.00 1.15 C ATOM 447 CD GLN A 31 -9.134 11.916 -7.208 1.00 1.59 C ATOM 448 OE1 GLN A 31 -9.933 12.946 -6.970 1.00 2.48 O flip ATOM 449 NE2 GLN A 31 -8.278 11.939 -8.090 1.00 1.86 N flip ATOM 0 H GLN A 31 -8.083 9.058 -4.618 1.00 0.49 H new ATOM 0 HA GLN A 31 -10.265 10.263 -3.016 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -10.851 11.451 -5.055 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -9.228 11.838 -4.520 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -8.349 10.189 -6.217 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -9.988 9.995 -6.806 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -7.681 11.126 -8.243 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -8.164 12.771 -8.669 1.00 1.86 H new ATOM 458 N ALA A 32 -11.993 8.697 -3.850 1.00 0.53 N ATOM 459 CA ALA A 32 -12.937 7.638 -4.164 1.00 0.54 C ATOM 460 C ALA A 32 -14.042 8.146 -5.080 1.00 0.56 C ATOM 461 O ALA A 32 -14.675 9.161 -4.793 1.00 0.70 O ATOM 462 CB ALA A 32 -13.523 7.065 -2.884 1.00 0.61 C ATOM 0 H ALA A 32 -12.314 9.353 -3.138 1.00 0.53 H new ATOM 0 HA ALA A 32 -12.404 6.847 -4.691 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -14.229 6.272 -3.130 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -12.722 6.658 -2.267 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -14.039 7.853 -2.335 1.00 0.61 H new ATOM 468 N LEU A 33 -14.264 7.447 -6.182 1.00 0.54 N ATOM 469 CA LEU A 33 -15.296 7.838 -7.131 1.00 0.64 C ATOM 470 C LEU A 33 -16.480 6.880 -7.063 1.00 0.75 C ATOM 471 O LEU A 33 -16.354 5.720 -7.438 1.00 0.84 O ATOM 472 CB LEU A 33 -14.728 7.845 -8.555 1.00 0.74 C ATOM 473 CG LEU A 33 -13.514 8.754 -8.778 1.00 1.28 C ATOM 474 CD1 LEU A 33 -13.014 8.630 -10.210 1.00 1.90 C ATOM 475 CD2 LEU A 33 -13.862 10.200 -8.459 1.00 1.94 C ATOM 0 H LEU A 33 -13.745 6.608 -6.442 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.636 8.840 -6.870 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -14.450 6.825 -8.821 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -15.518 8.149 -9.241 1.00 0.74 H new ATOM 0 HG LEU A 33 -12.718 8.436 -8.104 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -12.152 9.282 -10.352 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -12.725 7.598 -10.406 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -13.807 8.922 -10.899 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -12.987 10.829 -8.623 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.674 10.530 -9.107 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -14.174 10.278 -7.418 1.00 1.94 H new ATOM 487 N GLY A 34 -17.618 7.372 -6.579 1.00 0.85 N ATOM 488 CA GLY A 34 -18.834 6.572 -6.547 1.00 1.06 C ATOM 489 C GLY A 34 -18.735 5.368 -5.624 1.00 0.98 C ATOM 490 O GLY A 34 -18.908 4.228 -6.056 1.00 1.81 O ATOM 0 H GLY A 34 -17.721 8.316 -6.206 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.666 7.200 -6.227 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -19.063 6.230 -7.556 1.00 1.06 H new ATOM 494 N CYS A 35 -18.476 5.623 -4.348 1.00 0.96 N ATOM 495 CA CYS A 35 -18.311 4.551 -3.372 1.00 0.86 C ATOM 496 C CYS A 35 -19.648 4.124 -2.772 1.00 0.96 C ATOM 497 O CYS A 35 -20.129 3.024 -3.052 1.00 1.88 O ATOM 498 CB CYS A 35 -17.357 4.986 -2.260 1.00 0.84 C ATOM 499 SG CYS A 35 -15.744 4.135 -2.262 1.00 1.18 S ATOM 0 H CYS A 35 -18.375 6.562 -3.964 1.00 0.96 H new ATOM 0 HA CYS A 35 -17.888 3.694 -3.896 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -17.186 6.059 -2.346 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -17.841 4.816 -1.298 1.00 0.84 H new ATOM 504 N ASN A 36 -20.229 5.001 -1.946 1.00 0.79 N ATOM 505 CA ASN A 36 -21.491 4.740 -1.237 1.00 0.72 C ATOM 506 C ASN A 36 -21.320 3.673 -0.157 1.00 0.69 C ATOM 507 O ASN A 36 -21.505 3.939 1.030 1.00 0.80 O ATOM 508 CB ASN A 36 -22.609 4.319 -2.198 1.00 0.76 C ATOM 509 CG ASN A 36 -22.943 5.372 -3.237 1.00 1.29 C ATOM 510 OD1 ASN A 36 -22.754 6.570 -3.024 1.00 1.75 O ATOM 511 ND2 ASN A 36 -23.453 4.925 -4.373 1.00 2.14 N ATOM 0 H ASN A 36 -19.835 5.921 -1.748 1.00 0.79 H new ATOM 0 HA ASN A 36 -21.775 5.679 -0.762 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.314 3.400 -2.705 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.506 4.091 -1.622 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -23.705 5.581 -5.112 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -23.594 3.924 -4.510 1.00 2.14 H new ATOM 518 N ALA A 37 -20.950 2.474 -0.578 1.00 0.65 N ATOM 519 CA ALA A 37 -20.819 1.340 0.321 1.00 0.74 C ATOM 520 C ALA A 37 -19.618 0.498 -0.080 1.00 0.70 C ATOM 521 O ALA A 37 -19.757 -0.594 -0.632 1.00 0.94 O ATOM 522 CB ALA A 37 -22.091 0.502 0.320 1.00 0.93 C ATOM 0 H ALA A 37 -20.732 2.260 -1.551 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.664 1.711 1.334 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -21.971 -0.342 1.000 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -22.931 1.115 0.647 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.282 0.132 -0.687 1.00 0.93 H new ATOM 528 N ARG A 38 -18.438 1.037 0.164 1.00 0.59 N ATOM 529 CA ARG A 38 -17.200 0.363 -0.193 1.00 0.61 C ATOM 530 C ARG A 38 -16.125 0.612 0.855 1.00 0.50 C ATOM 531 O ARG A 38 -15.906 1.755 1.267 1.00 0.50 O ATOM 532 CB ARG A 38 -16.738 0.856 -1.570 1.00 0.71 C ATOM 533 CG ARG A 38 -15.400 0.302 -2.041 1.00 0.98 C ATOM 534 CD ARG A 38 -14.258 1.264 -1.744 1.00 2.02 C ATOM 535 NE ARG A 38 -12.992 0.842 -2.343 1.00 2.78 N ATOM 536 CZ ARG A 38 -12.212 1.644 -3.075 1.00 3.70 C ATOM 537 NH1 ARG A 38 -12.586 2.893 -3.322 1.00 4.05 N ATOM 538 NH2 ARG A 38 -11.061 1.197 -3.560 1.00 4.64 N ATOM 0 H ARG A 38 -18.309 1.945 0.611 1.00 0.59 H new ATOM 0 HA ARG A 38 -17.377 -0.712 -0.234 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -17.500 0.597 -2.305 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -16.675 1.944 -1.546 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -15.209 -0.653 -1.551 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -15.443 0.108 -3.113 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -14.518 2.255 -2.115 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -14.133 1.351 -0.665 1.00 2.02 H new ATOM 0 HE ARG A 38 -12.687 -0.120 -2.194 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -13.470 3.243 -2.953 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -11.989 3.503 -3.881 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -10.768 0.238 -3.375 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -10.469 1.813 -4.118 1.00 4.64 H new ATOM 552 N GLN A 39 -15.460 -0.452 1.292 1.00 0.48 N ATOM 553 CA GLN A 39 -14.341 -0.324 2.200 1.00 0.42 C ATOM 554 C GLN A 39 -13.074 -0.114 1.385 1.00 0.42 C ATOM 555 O GLN A 39 -12.605 -1.028 0.702 1.00 0.62 O ATOM 556 CB GLN A 39 -14.222 -1.569 3.084 1.00 0.47 C ATOM 557 CG GLN A 39 -15.567 -2.068 3.594 1.00 0.64 C ATOM 558 CD GLN A 39 -15.451 -3.113 4.685 1.00 0.87 C ATOM 559 OE1 GLN A 39 -14.463 -2.962 5.547 1.00 1.75 O flip ATOM 560 NE2 GLN A 39 -16.275 -4.022 4.779 1.00 1.40 N flip ATOM 0 H GLN A 39 -15.682 -1.412 1.028 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.495 0.532 2.857 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -13.737 -2.364 2.518 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.578 -1.344 3.934 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -16.140 -1.221 3.973 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.130 -2.486 2.760 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -17.024 -4.104 4.092 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -16.209 -4.693 5.544 1.00 1.40 H new ATOM 569 N VAL A 40 -12.564 1.109 1.411 1.00 0.36 N ATOM 570 CA VAL A 40 -11.384 1.461 0.637 1.00 0.38 C ATOM 571 C VAL A 40 -10.192 0.644 1.108 1.00 0.35 C ATOM 572 O VAL A 40 -9.695 0.854 2.207 1.00 0.41 O ATOM 573 CB VAL A 40 -11.055 2.965 0.749 1.00 0.44 C ATOM 574 CG1 VAL A 40 -9.883 3.331 -0.155 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.279 3.805 0.414 1.00 0.54 C ATOM 0 H VAL A 40 -12.951 1.876 1.962 1.00 0.36 H new ATOM 0 HA VAL A 40 -11.597 1.238 -0.409 1.00 0.38 H new ATOM 0 HB VAL A 40 -10.766 3.177 1.778 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -9.669 4.395 -0.060 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.004 2.756 0.138 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.137 3.103 -1.190 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.029 4.863 0.498 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -12.601 3.588 -0.604 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.085 3.567 1.108 1.00 0.54 H new ATOM 585 N ALA A 41 -9.759 -0.293 0.275 1.00 0.29 N ATOM 586 CA ALA A 41 -8.687 -1.187 0.614 1.00 0.28 C ATOM 587 C ALA A 41 -7.630 -1.154 -0.464 1.00 0.26 C ATOM 588 O ALA A 41 -7.947 -1.150 -1.652 1.00 0.35 O ATOM 589 CB ALA A 41 -9.214 -2.599 0.789 1.00 0.36 C ATOM 0 H ALA A 41 -10.150 -0.446 -0.655 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.243 -0.864 1.556 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.391 -3.265 1.046 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.956 -2.614 1.588 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.675 -2.933 -0.140 1.00 0.36 H new ATOM 595 N LEU A 42 -6.382 -1.135 -0.058 1.00 0.27 N ATOM 596 CA LEU A 42 -5.293 -1.140 -1.006 1.00 0.31 C ATOM 597 C LEU A 42 -4.659 -2.518 -1.059 1.00 0.31 C ATOM 598 O LEU A 42 -4.352 -3.106 -0.023 1.00 0.48 O ATOM 599 CB LEU A 42 -4.252 -0.093 -0.618 1.00 0.39 C ATOM 600 CG LEU A 42 -4.803 1.321 -0.436 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.691 2.270 -0.037 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.485 1.801 -1.710 1.00 0.84 C ATOM 0 H LEU A 42 -6.096 -1.116 0.921 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.683 -0.893 -1.994 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.773 -0.404 0.311 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.477 -0.070 -1.384 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.547 1.302 0.361 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.097 3.274 0.089 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.248 1.937 0.902 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -2.927 2.283 -0.815 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.870 2.809 -1.559 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.765 1.806 -2.528 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.309 1.131 -1.956 1.00 0.84 H new ATOM 614 N LYS A 43 -4.521 -3.050 -2.263 1.00 0.34 N ATOM 615 CA LYS A 43 -3.835 -4.313 -2.462 1.00 0.37 C ATOM 616 C LYS A 43 -2.535 -4.047 -3.171 1.00 0.38 C ATOM 617 O LYS A 43 -2.414 -3.071 -3.903 1.00 0.53 O ATOM 618 CB LYS A 43 -4.664 -5.305 -3.292 1.00 0.42 C ATOM 619 CG LYS A 43 -5.983 -5.702 -2.657 1.00 0.49 C ATOM 620 CD LYS A 43 -7.064 -4.664 -2.911 1.00 1.00 C ATOM 621 CE LYS A 43 -7.817 -4.340 -1.640 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.439 -5.543 -1.037 1.00 1.93 N ATOM 0 H LYS A 43 -4.877 -2.624 -3.119 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.669 -4.763 -1.483 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.863 -4.865 -4.269 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.071 -6.204 -3.461 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.303 -6.665 -3.054 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.846 -5.830 -1.583 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.614 -3.756 -3.312 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -7.759 -5.035 -3.665 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -7.135 -3.886 -0.921 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.590 -3.602 -1.855 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -8.382 -5.481 -0.000 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -9.436 -5.600 -1.326 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -7.936 -6.393 -1.361 1.00 1.93 H new ATOM 636 N ALA A 44 -1.562 -4.888 -2.946 1.00 0.36 N ATOM 637 CA ALA A 44 -0.311 -4.758 -3.646 1.00 0.37 C ATOM 638 C ALA A 44 -0.253 -5.746 -4.792 1.00 0.34 C ATOM 639 O ALA A 44 -0.938 -6.772 -4.781 1.00 0.36 O ATOM 640 CB ALA A 44 0.847 -4.964 -2.695 1.00 0.41 C ATOM 0 H ALA A 44 -1.609 -5.666 -2.288 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.236 -3.751 -4.056 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.786 -4.863 -3.238 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.804 -4.217 -1.902 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.786 -5.961 -2.258 1.00 0.41 H new ATOM 646 N ASP A 45 0.545 -5.418 -5.784 1.00 0.36 N ATOM 647 CA ASP A 45 0.743 -6.293 -6.922 1.00 0.39 C ATOM 648 C ASP A 45 1.613 -7.467 -6.498 1.00 0.37 C ATOM 649 O ASP A 45 2.461 -7.313 -5.622 1.00 0.35 O ATOM 650 CB ASP A 45 1.393 -5.517 -8.068 1.00 0.45 C ATOM 651 CG ASP A 45 1.508 -6.344 -9.332 1.00 0.57 C ATOM 652 OD1 ASP A 45 2.512 -7.070 -9.485 1.00 0.64 O ATOM 653 OD2 ASP A 45 0.589 -6.268 -10.179 1.00 0.71 O ATOM 0 H ASP A 45 1.072 -4.545 -5.827 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.217 -6.672 -7.273 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.807 -4.621 -8.275 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.385 -5.186 -7.762 1.00 0.45 H new ATOM 658 N THR A 46 1.409 -8.628 -7.113 1.00 0.47 N ATOM 659 CA THR A 46 2.079 -9.857 -6.692 1.00 0.55 C ATOM 660 C THR A 46 3.603 -9.734 -6.744 1.00 0.47 C ATOM 661 O THR A 46 4.311 -10.522 -6.118 1.00 0.56 O ATOM 662 CB THR A 46 1.641 -11.072 -7.541 1.00 0.76 C ATOM 663 OG1 THR A 46 2.187 -12.275 -6.983 1.00 1.40 O ATOM 664 CG2 THR A 46 2.100 -10.934 -8.990 1.00 0.99 C ATOM 0 H THR A 46 0.782 -8.745 -7.909 1.00 0.47 H new ATOM 0 HA THR A 46 1.777 -10.017 -5.657 1.00 0.55 H new ATOM 0 HB THR A 46 0.552 -11.115 -7.529 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.966 -12.055 -6.431 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.775 -11.805 -9.559 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.666 -10.034 -9.425 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.187 -10.864 -9.022 1.00 0.99 H new ATOM 672 N ASP A 47 4.100 -8.747 -7.477 1.00 0.42 N ATOM 673 CA ASP A 47 5.536 -8.514 -7.572 1.00 0.50 C ATOM 674 C ASP A 47 6.098 -8.100 -6.212 1.00 0.43 C ATOM 675 O ASP A 47 7.259 -8.354 -5.900 1.00 0.47 O ATOM 676 CB ASP A 47 5.825 -7.435 -8.620 1.00 0.66 C ATOM 677 CG ASP A 47 7.285 -7.379 -9.012 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.898 -8.457 -9.174 1.00 1.72 O ATOM 679 OD2 ASP A 47 7.812 -6.266 -9.217 1.00 2.22 O ATOM 0 H ASP A 47 3.530 -8.094 -8.015 1.00 0.42 H new ATOM 0 HA ASP A 47 6.023 -9.440 -7.879 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.222 -7.625 -9.508 1.00 0.66 H new ATOM 0 HB3 ASP A 47 5.520 -6.464 -8.230 1.00 0.66 H new ATOM 684 N ASN A 48 5.244 -7.495 -5.398 1.00 0.38 N ATOM 685 CA ASN A 48 5.622 -7.018 -4.076 1.00 0.39 C ATOM 686 C ASN A 48 4.557 -7.414 -3.056 1.00 0.37 C ATOM 687 O ASN A 48 4.381 -6.756 -2.026 1.00 0.42 O ATOM 688 CB ASN A 48 5.805 -5.493 -4.101 1.00 0.50 C ATOM 689 CG ASN A 48 4.597 -4.766 -4.650 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.455 -4.609 -5.862 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.731 -4.296 -3.772 1.00 1.19 N ATOM 0 H ASN A 48 4.268 -7.321 -5.637 1.00 0.38 H new ATOM 0 HA ASN A 48 6.568 -7.476 -3.786 1.00 0.39 H new ATOM 0 HB2 ASN A 48 6.008 -5.139 -3.090 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.678 -5.246 -4.706 1.00 0.50 H new ATOM 0 HD21 ASN A 48 2.909 -3.782 -4.091 1.00 1.19 H new ATOM 0 HD22 ASN A 48 3.883 -4.447 -2.775 1.00 1.19 H new ATOM 698 N PHE A 49 3.857 -8.506 -3.355 1.00 0.35 N ATOM 699 CA PHE A 49 2.795 -9.023 -2.492 1.00 0.36 C ATOM 700 C PHE A 49 2.853 -10.546 -2.464 1.00 0.38 C ATOM 701 O PHE A 49 2.436 -11.211 -3.414 1.00 0.39 O ATOM 702 CB PHE A 49 1.429 -8.545 -3.014 1.00 0.38 C ATOM 703 CG PHE A 49 0.217 -8.989 -2.234 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.226 -8.259 -1.143 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.451 -10.160 -2.562 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.309 -8.683 -0.398 1.00 0.42 C ATOM 707 CE2 PHE A 49 -1.536 -10.586 -1.824 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.069 -9.768 -0.854 1.00 0.46 C ATOM 0 H PHE A 49 4.009 -9.057 -4.200 1.00 0.35 H new ATOM 0 HA PHE A 49 2.933 -8.650 -1.477 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.437 -7.455 -3.041 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.318 -8.889 -4.042 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.283 -7.346 -0.871 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.117 -10.746 -3.406 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.567 -8.184 0.525 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -1.966 -11.560 -2.007 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.053 -9.959 -0.452 1.00 0.46 H new ATOM 718 N GLU A 50 3.392 -11.092 -1.387 1.00 0.44 N ATOM 719 CA GLU A 50 3.514 -12.537 -1.249 1.00 0.52 C ATOM 720 C GLU A 50 2.500 -13.065 -0.252 1.00 0.52 C ATOM 721 O GLU A 50 2.540 -12.703 0.929 1.00 0.54 O ATOM 722 CB GLU A 50 4.922 -12.933 -0.808 1.00 0.65 C ATOM 723 CG GLU A 50 5.987 -12.686 -1.858 1.00 1.22 C ATOM 724 CD GLU A 50 7.331 -13.250 -1.451 1.00 1.82 C ATOM 725 OE1 GLU A 50 8.100 -12.539 -0.773 1.00 2.41 O ATOM 726 OE2 GLU A 50 7.626 -14.410 -1.811 1.00 2.15 O ATOM 0 H GLU A 50 3.752 -10.559 -0.595 1.00 0.44 H new ATOM 0 HA GLU A 50 3.319 -12.979 -2.226 1.00 0.52 H new ATOM 0 HB2 GLU A 50 5.179 -12.378 0.094 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.925 -13.990 -0.543 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.676 -13.136 -2.801 1.00 1.22 H new ATOM 0 HG3 GLU A 50 6.082 -11.614 -2.032 1.00 1.22 H new ATOM 733 N GLN A 51 1.594 -13.909 -0.749 1.00 0.63 N ATOM 734 CA GLN A 51 0.549 -14.543 0.059 1.00 0.76 C ATOM 735 C GLN A 51 -0.486 -13.531 0.547 1.00 0.72 C ATOM 736 O GLN A 51 -1.677 -13.667 0.271 1.00 1.07 O ATOM 737 CB GLN A 51 1.153 -15.306 1.244 1.00 0.87 C ATOM 738 CG GLN A 51 2.092 -16.429 0.827 1.00 1.71 C ATOM 739 CD GLN A 51 2.634 -17.219 2.001 1.00 2.56 C ATOM 740 OE1 GLN A 51 2.787 -16.567 3.144 1.00 2.92 O flip ATOM 741 NE2 GLN A 51 2.918 -18.411 1.879 1.00 3.43 N flip ATOM 0 H GLN A 51 1.564 -14.175 -1.733 1.00 0.63 H new ATOM 0 HA GLN A 51 0.036 -15.256 -0.586 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.696 -14.605 1.878 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.346 -15.723 1.847 1.00 0.87 H new ATOM 0 HG2 GLN A 51 1.564 -17.105 0.155 1.00 1.71 H new ATOM 0 HG3 GLN A 51 2.925 -16.008 0.265 1.00 1.71 H new ATOM 0 HE21 GLN A 51 2.786 -18.878 0.982 1.00 3.43 H new ATOM 0 HE22 GLN A 51 3.285 -18.932 2.675 1.00 3.43 H new ATOM 750 N GLY A 52 -0.029 -12.520 1.264 1.00 0.56 N ATOM 751 CA GLY A 52 -0.924 -11.516 1.787 1.00 0.52 C ATOM 752 C GLY A 52 -0.186 -10.450 2.558 1.00 0.48 C ATOM 753 O GLY A 52 -0.706 -9.910 3.530 1.00 0.52 O ATOM 0 H GLY A 52 0.954 -12.377 1.494 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.473 -11.055 0.965 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.661 -11.989 2.436 1.00 0.52 H new ATOM 757 N LYS A 53 1.039 -10.162 2.143 1.00 0.47 N ATOM 758 CA LYS A 53 1.805 -9.093 2.727 1.00 0.47 C ATOM 759 C LYS A 53 2.356 -8.204 1.622 1.00 0.42 C ATOM 760 O LYS A 53 2.878 -8.707 0.626 1.00 0.41 O ATOM 761 CB LYS A 53 2.960 -9.677 3.532 1.00 0.53 C ATOM 762 CG LYS A 53 2.867 -9.461 5.039 1.00 1.01 C ATOM 763 CD LYS A 53 1.646 -10.149 5.634 1.00 0.65 C ATOM 764 CE LYS A 53 1.652 -10.101 7.155 1.00 1.27 C ATOM 765 NZ LYS A 53 2.779 -10.875 7.743 1.00 2.12 N ATOM 0 H LYS A 53 1.519 -10.664 1.396 1.00 0.47 H new ATOM 0 HA LYS A 53 1.166 -8.504 3.384 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.015 -10.748 3.336 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.891 -9.239 3.174 1.00 0.53 H new ATOM 0 HG2 LYS A 53 3.769 -9.843 5.517 1.00 1.01 H new ATOM 0 HG3 LYS A 53 2.822 -8.393 5.251 1.00 1.01 H new ATOM 0 HD2 LYS A 53 0.741 -9.670 5.259 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.618 -11.187 5.304 1.00 0.65 H new ATOM 0 HE2 LYS A 53 1.717 -9.063 7.483 1.00 1.27 H new ATOM 0 HE3 LYS A 53 0.708 -10.495 7.532 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 2.604 -11.027 8.757 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 2.857 -11.794 7.263 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 3.665 -10.345 7.621 1.00 2.12 H new ATOM 779 N PHE A 54 2.238 -6.895 1.788 1.00 0.44 N ATOM 780 CA PHE A 54 2.840 -5.969 0.848 1.00 0.41 C ATOM 781 C PHE A 54 4.163 -5.446 1.378 1.00 0.39 C ATOM 782 O PHE A 54 4.309 -5.154 2.568 1.00 0.44 O ATOM 783 CB PHE A 54 1.900 -4.814 0.466 1.00 0.43 C ATOM 784 CG PHE A 54 1.020 -4.265 1.558 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.576 -3.931 2.781 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.346 -4.109 1.386 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.792 -3.446 3.808 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.136 -3.628 2.414 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.644 -3.206 3.518 1.00 0.51 C ATOM 0 H PHE A 54 1.735 -6.455 2.559 1.00 0.44 H new ATOM 0 HA PHE A 54 3.030 -6.528 -0.068 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.507 -3.997 0.076 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.260 -5.152 -0.348 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.638 -4.052 2.934 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.798 -4.366 0.439 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.207 -3.249 4.785 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.208 -3.608 2.281 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.266 -2.682 4.229 1.00 0.51 H new ATOM 799 N PHE A 55 5.126 -5.349 0.484 1.00 0.37 N ATOM 800 CA PHE A 55 6.480 -4.989 0.848 1.00 0.36 C ATOM 801 C PHE A 55 7.203 -4.373 -0.344 1.00 0.42 C ATOM 802 O PHE A 55 6.669 -4.350 -1.449 1.00 0.55 O ATOM 803 CB PHE A 55 7.227 -6.240 1.334 1.00 0.36 C ATOM 804 CG PHE A 55 7.306 -7.342 0.310 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.290 -8.278 0.197 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.397 -7.441 -0.536 1.00 0.41 C ATOM 807 CE1 PHE A 55 6.361 -9.288 -0.740 1.00 0.59 C ATOM 808 CE2 PHE A 55 8.474 -8.449 -1.476 1.00 0.48 C ATOM 809 CZ PHE A 55 7.455 -9.375 -1.578 1.00 0.54 C ATOM 0 H PHE A 55 4.992 -5.517 -0.513 1.00 0.37 H new ATOM 0 HA PHE A 55 6.452 -4.252 1.650 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.238 -5.956 1.626 1.00 0.36 H new ATOM 0 HB3 PHE A 55 6.732 -6.622 2.227 1.00 0.36 H new ATOM 0 HD1 PHE A 55 5.432 -8.216 0.850 1.00 0.53 H new ATOM 0 HD2 PHE A 55 9.198 -6.721 -0.460 1.00 0.41 H new ATOM 0 HE1 PHE A 55 5.562 -10.010 -0.818 1.00 0.59 H new ATOM 0 HE2 PHE A 55 9.330 -8.513 -2.131 1.00 0.48 H new ATOM 0 HZ PHE A 55 7.513 -10.166 -2.312 1.00 0.54 H new ATOM 819 N LEU A 56 8.403 -3.862 -0.111 1.00 0.37 N ATOM 820 CA LEU A 56 9.266 -3.421 -1.197 1.00 0.44 C ATOM 821 C LEU A 56 10.014 -4.618 -1.754 1.00 0.44 C ATOM 822 O LEU A 56 10.610 -5.381 -0.990 1.00 0.53 O ATOM 823 CB LEU A 56 10.303 -2.386 -0.735 1.00 0.53 C ATOM 824 CG LEU A 56 9.773 -1.037 -0.256 1.00 0.81 C ATOM 825 CD1 LEU A 56 9.172 -1.145 1.129 1.00 1.53 C ATOM 826 CD2 LEU A 56 10.890 -0.012 -0.265 1.00 1.27 C ATOM 0 H LEU A 56 8.801 -3.742 0.820 1.00 0.37 H new ATOM 0 HA LEU A 56 8.629 -2.958 -1.950 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.884 -2.828 0.074 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.992 -2.205 -1.560 1.00 0.53 H new ATOM 0 HG LEU A 56 8.986 -0.717 -0.938 1.00 0.81 H new ATOM 0 HD11 LEU A 56 8.803 -0.168 1.443 1.00 1.53 H new ATOM 0 HD12 LEU A 56 8.346 -1.857 1.113 1.00 1.53 H new ATOM 0 HD13 LEU A 56 9.933 -1.488 1.830 1.00 1.53 H new ATOM 0 HD21 LEU A 56 10.505 0.948 0.078 1.00 1.27 H new ATOM 0 HD22 LEU A 56 11.690 -0.340 0.398 1.00 1.27 H new ATOM 0 HD23 LEU A 56 11.279 0.094 -1.278 1.00 1.27 H new ATOM 838 N ILE A 57 10.005 -4.785 -3.066 1.00 0.42 N ATOM 839 CA ILE A 57 10.779 -5.852 -3.669 1.00 0.45 C ATOM 840 C ILE A 57 12.018 -5.264 -4.330 1.00 0.46 C ATOM 841 O ILE A 57 11.959 -4.223 -4.988 1.00 0.52 O ATOM 842 CB ILE A 57 9.960 -6.694 -4.688 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.764 -7.916 -5.140 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.542 -5.867 -5.896 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.111 -8.869 -4.016 1.00 0.57 C ATOM 0 H ILE A 57 9.480 -4.206 -3.722 1.00 0.42 H new ATOM 0 HA ILE A 57 11.070 -6.538 -2.874 1.00 0.45 H new ATOM 0 HB ILE A 57 9.054 -7.028 -4.183 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.194 -8.454 -5.897 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.685 -7.578 -5.615 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.972 -6.491 -6.584 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.925 -5.031 -5.568 1.00 0.62 H new ATOM 0 HG23 ILE A 57 10.430 -5.487 -6.401 1.00 0.62 H new ATOM 0 HD11 ILE A 57 11.680 -9.709 -4.414 1.00 0.57 H new ATOM 0 HD12 ILE A 57 11.708 -8.348 -3.268 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.194 -9.238 -3.555 1.00 0.57 H new ATOM 857 N SER A 58 13.145 -5.911 -4.093 1.00 0.52 N ATOM 858 CA SER A 58 14.432 -5.429 -4.561 1.00 0.62 C ATOM 859 C SER A 58 14.532 -5.503 -6.084 1.00 0.72 C ATOM 860 O SER A 58 13.594 -5.927 -6.761 1.00 0.77 O ATOM 861 CB SER A 58 15.538 -6.249 -3.900 1.00 0.78 C ATOM 862 OG SER A 58 16.823 -5.710 -4.152 1.00 1.44 O ATOM 0 H SER A 58 13.194 -6.786 -3.570 1.00 0.52 H new ATOM 0 HA SER A 58 14.543 -4.380 -4.285 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.366 -6.288 -2.824 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.497 -7.275 -4.267 1.00 0.78 H new ATOM 0 HG SER A 58 17.309 -5.613 -3.306 1.00 1.44 H new ATOM 868 N ASP A 59 15.676 -5.082 -6.611 1.00 0.97 N ATOM 869 CA ASP A 59 15.899 -5.037 -8.052 1.00 1.18 C ATOM 870 C ASP A 59 15.671 -6.402 -8.695 1.00 1.20 C ATOM 871 O ASP A 59 15.048 -6.500 -9.746 1.00 1.34 O ATOM 872 CB ASP A 59 17.318 -4.553 -8.346 1.00 1.57 C ATOM 873 CG ASP A 59 17.708 -4.745 -9.797 1.00 1.80 C ATOM 874 OD1 ASP A 59 17.365 -3.876 -10.628 1.00 2.17 O ATOM 875 OD2 ASP A 59 18.353 -5.765 -10.117 1.00 2.31 O ATOM 0 H ASP A 59 16.471 -4.764 -6.056 1.00 0.97 H new ATOM 0 HA ASP A 59 15.180 -4.339 -8.481 1.00 1.18 H new ATOM 0 HB2 ASP A 59 17.399 -3.497 -8.088 1.00 1.57 H new ATOM 0 HB3 ASP A 59 18.021 -5.091 -7.710 1.00 1.57 H new ATOM 880 N ASN A 60 16.171 -7.448 -8.056 1.00 1.26 N ATOM 881 CA ASN A 60 15.976 -8.802 -8.562 1.00 1.52 C ATOM 882 C ASN A 60 15.131 -9.619 -7.594 1.00 1.40 C ATOM 883 O ASN A 60 14.025 -10.037 -7.927 1.00 1.74 O ATOM 884 CB ASN A 60 17.332 -9.483 -8.777 1.00 1.82 C ATOM 885 CG ASN A 60 17.217 -10.933 -9.219 1.00 2.52 C ATOM 886 OD1 ASN A 60 18.032 -11.769 -8.831 1.00 3.09 O ATOM 887 ND2 ASN A 60 16.233 -11.235 -10.053 1.00 3.05 N ATOM 0 H ASN A 60 16.711 -7.389 -7.193 1.00 1.26 H new ATOM 0 HA ASN A 60 15.451 -8.742 -9.516 1.00 1.52 H new ATOM 0 HB2 ASN A 60 17.895 -8.926 -9.526 1.00 1.82 H new ATOM 0 HB3 ASN A 60 17.904 -9.438 -7.850 1.00 1.82 H new ATOM 0 HD21 ASN A 60 16.131 -12.190 -10.397 1.00 3.05 H new ATOM 0 HD22 ASN A 60 15.577 -10.513 -10.351 1.00 3.05 H new ATOM 894 N ASN A 61 15.652 -9.804 -6.383 1.00 1.11 N ATOM 895 CA ASN A 61 14.980 -10.587 -5.344 1.00 1.06 C ATOM 896 C ASN A 61 15.865 -10.661 -4.108 1.00 1.11 C ATOM 897 O ASN A 61 15.749 -11.578 -3.295 1.00 1.55 O ATOM 898 CB ASN A 61 14.655 -12.008 -5.848 1.00 1.29 C ATOM 899 CG ASN A 61 15.880 -12.775 -6.332 1.00 1.85 C ATOM 900 OD1 ASN A 61 16.983 -12.627 -5.805 1.00 2.62 O ATOM 901 ND2 ASN A 61 15.697 -13.588 -7.362 1.00 2.37 N ATOM 0 H ASN A 61 16.550 -9.417 -6.093 1.00 1.11 H new ATOM 0 HA ASN A 61 14.041 -10.095 -5.090 1.00 1.06 H new ATOM 0 HB2 ASN A 61 14.178 -12.570 -5.045 1.00 1.29 H new ATOM 0 HB3 ASN A 61 13.933 -11.940 -6.662 1.00 1.29 H new ATOM 0 HD21 ASN A 61 16.483 -14.115 -7.742 1.00 2.37 H new ATOM 0 HD22 ASN A 61 14.770 -13.687 -7.775 1.00 2.37 H new ATOM 908 N ARG A 62 16.723 -9.662 -3.962 1.00 0.98 N ATOM 909 CA ARG A 62 17.767 -9.687 -2.945 1.00 1.06 C ATOM 910 C ARG A 62 17.191 -9.473 -1.552 1.00 0.90 C ATOM 911 O ARG A 62 17.522 -10.198 -0.612 1.00 1.01 O ATOM 912 CB ARG A 62 18.812 -8.604 -3.233 1.00 1.27 C ATOM 913 CG ARG A 62 19.407 -8.671 -4.631 1.00 1.79 C ATOM 914 CD ARG A 62 20.124 -9.987 -4.875 1.00 2.44 C ATOM 915 NE ARG A 62 20.758 -10.031 -6.193 1.00 3.13 N ATOM 916 CZ ARG A 62 21.395 -11.097 -6.679 1.00 3.67 C ATOM 917 NH1 ARG A 62 21.392 -12.245 -6.011 1.00 3.55 N ATOM 918 NH2 ARG A 62 22.002 -11.022 -7.853 1.00 4.66 N ATOM 0 H ARG A 62 16.717 -8.820 -4.537 1.00 0.98 H new ATOM 0 HA ARG A 62 18.236 -10.670 -2.978 1.00 1.06 H new ATOM 0 HB2 ARG A 62 18.354 -7.625 -3.091 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.617 -8.688 -2.503 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.615 -8.546 -5.370 1.00 1.79 H new ATOM 0 HG3 ARG A 62 20.105 -7.845 -4.769 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.880 -10.136 -4.104 1.00 2.44 H new ATOM 0 HD3 ARG A 62 19.413 -10.809 -4.787 1.00 2.44 H new ATOM 0 HE ARG A 62 20.710 -9.195 -6.776 1.00 3.13 H new ATOM 0 HH11 ARG A 62 20.900 -12.315 -5.120 1.00 3.55 H new ATOM 0 HH12 ARG A 62 21.881 -13.056 -6.389 1.00 3.55 H new ATOM 0 HH21 ARG A 62 21.982 -10.151 -8.383 1.00 4.66 H new ATOM 0 HH22 ARG A 62 22.490 -11.835 -8.228 1.00 4.66 H new ATOM 932 N ASP A 63 16.324 -8.482 -1.433 1.00 0.81 N ATOM 933 CA ASP A 63 15.806 -8.064 -0.136 1.00 0.75 C ATOM 934 C ASP A 63 14.323 -7.762 -0.229 1.00 0.61 C ATOM 935 O ASP A 63 13.808 -7.465 -1.312 1.00 0.69 O ATOM 936 CB ASP A 63 16.538 -6.812 0.370 1.00 0.92 C ATOM 937 CG ASP A 63 17.728 -6.432 -0.488 1.00 1.70 C ATOM 938 OD1 ASP A 63 17.534 -5.734 -1.503 1.00 2.51 O ATOM 939 OD2 ASP A 63 18.867 -6.822 -0.139 1.00 2.02 O ATOM 0 H ASP A 63 15.961 -7.948 -2.222 1.00 0.81 H new ATOM 0 HA ASP A 63 15.971 -8.883 0.564 1.00 0.75 H new ATOM 0 HB2 ASP A 63 15.838 -5.977 0.401 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.875 -6.984 1.392 1.00 0.92 H new ATOM 944 N LYS A 64 13.642 -7.853 0.904 1.00 0.51 N ATOM 945 CA LYS A 64 12.243 -7.474 0.990 1.00 0.48 C ATOM 946 C LYS A 64 11.972 -6.802 2.332 1.00 0.52 C ATOM 947 O LYS A 64 12.502 -7.216 3.365 1.00 0.86 O ATOM 948 CB LYS A 64 11.330 -8.696 0.809 1.00 0.57 C ATOM 949 CG LYS A 64 11.324 -9.659 1.992 1.00 0.65 C ATOM 950 CD LYS A 64 9.943 -9.744 2.629 1.00 0.84 C ATOM 951 CE LYS A 64 8.951 -10.468 1.726 1.00 1.52 C ATOM 952 NZ LYS A 64 9.316 -11.893 1.510 1.00 2.07 N ATOM 0 H LYS A 64 14.041 -8.189 1.781 1.00 0.51 H new ATOM 0 HA LYS A 64 12.024 -6.770 0.187 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.311 -8.350 0.632 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.642 -9.238 -0.084 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.635 -10.649 1.659 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.050 -9.330 2.735 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.014 -10.265 3.584 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.577 -8.739 2.840 1.00 0.84 H new ATOM 0 HE2 LYS A 64 7.956 -10.414 2.167 1.00 1.52 H new ATOM 0 HE3 LYS A 64 8.901 -9.959 0.764 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 8.585 -12.355 0.932 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 10.231 -11.946 1.019 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 9.388 -12.376 2.428 1.00 2.07 H new ATOM 966 N LEU A 65 11.166 -5.755 2.312 1.00 0.34 N ATOM 967 CA LEU A 65 10.796 -5.054 3.532 1.00 0.34 C ATOM 968 C LEU A 65 9.334 -4.638 3.477 1.00 0.38 C ATOM 969 O LEU A 65 8.919 -3.930 2.564 1.00 0.72 O ATOM 970 CB LEU A 65 11.699 -3.843 3.776 1.00 0.52 C ATOM 971 CG LEU A 65 11.787 -2.818 2.648 1.00 1.18 C ATOM 972 CD1 LEU A 65 12.130 -1.457 3.221 1.00 1.98 C ATOM 973 CD2 LEU A 65 12.835 -3.230 1.624 1.00 1.96 C ATOM 0 H LEU A 65 10.753 -5.370 1.462 1.00 0.34 H new ATOM 0 HA LEU A 65 10.933 -5.737 4.370 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.350 -3.333 4.674 1.00 0.52 H new ATOM 0 HB3 LEU A 65 12.705 -4.205 3.987 1.00 0.52 H new ATOM 0 HG LEU A 65 10.820 -2.768 2.147 1.00 1.18 H new ATOM 0 HD11 LEU A 65 12.192 -0.727 2.414 1.00 1.98 H new ATOM 0 HD12 LEU A 65 11.356 -1.153 3.926 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.089 -1.510 3.736 1.00 1.98 H new ATOM 0 HD21 LEU A 65 12.880 -2.485 0.830 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.808 -3.303 2.109 1.00 1.96 H new ATOM 0 HD23 LEU A 65 12.568 -4.198 1.199 1.00 1.96 H new ATOM 985 N TYR A 66 8.556 -5.092 4.450 1.00 0.32 N ATOM 986 CA TYR A 66 7.108 -4.888 4.436 1.00 0.34 C ATOM 987 C TYR A 66 6.745 -3.434 4.722 1.00 0.36 C ATOM 988 O TYR A 66 7.494 -2.716 5.389 1.00 0.44 O ATOM 989 CB TYR A 66 6.430 -5.804 5.457 1.00 0.39 C ATOM 990 CG TYR A 66 6.770 -7.272 5.293 1.00 0.41 C ATOM 991 CD1 TYR A 66 6.023 -8.100 4.461 1.00 0.50 C ATOM 992 CD2 TYR A 66 7.836 -7.834 5.985 1.00 0.55 C ATOM 993 CE1 TYR A 66 6.333 -9.437 4.325 1.00 0.59 C ATOM 994 CE2 TYR A 66 8.148 -9.172 5.854 1.00 0.64 C ATOM 995 CZ TYR A 66 7.392 -9.967 5.023 1.00 0.62 C ATOM 996 OH TYR A 66 7.694 -11.299 4.894 1.00 0.75 O ATOM 0 H TYR A 66 8.901 -5.605 5.261 1.00 0.32 H new ATOM 0 HA TYR A 66 6.751 -5.136 3.437 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.715 -5.486 6.460 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.350 -5.681 5.378 1.00 0.39 H new ATOM 0 HD1 TYR A 66 5.188 -7.689 3.913 1.00 0.50 H new ATOM 0 HD2 TYR A 66 8.431 -7.212 6.637 1.00 0.55 H new ATOM 0 HE1 TYR A 66 5.746 -10.066 3.672 1.00 0.59 H new ATOM 0 HE2 TYR A 66 8.980 -9.592 6.400 1.00 0.64 H new ATOM 0 HH TYR A 66 8.470 -11.514 5.452 1.00 0.75 H new ATOM 1006 N VAL A 67 5.593 -3.010 4.214 1.00 0.35 N ATOM 1007 CA VAL A 67 5.128 -1.640 4.397 1.00 0.38 C ATOM 1008 C VAL A 67 3.826 -1.596 5.181 1.00 0.40 C ATOM 1009 O VAL A 67 3.127 -2.600 5.309 1.00 0.73 O ATOM 1010 CB VAL A 67 4.916 -0.916 3.051 1.00 0.49 C ATOM 1011 CG1 VAL A 67 6.233 -0.732 2.333 1.00 0.67 C ATOM 1012 CG2 VAL A 67 3.933 -1.665 2.167 1.00 0.60 C ATOM 0 H VAL A 67 4.962 -3.598 3.670 1.00 0.35 H new ATOM 0 HA VAL A 67 5.911 -1.128 4.956 1.00 0.38 H new ATOM 0 HB VAL A 67 4.493 0.065 3.267 1.00 0.49 H new ATOM 0 HG11 VAL A 67 6.063 -0.220 1.386 1.00 0.67 H new ATOM 0 HG12 VAL A 67 6.905 -0.137 2.952 1.00 0.67 H new ATOM 0 HG13 VAL A 67 6.683 -1.706 2.143 1.00 0.67 H new ATOM 0 HG21 VAL A 67 3.807 -1.128 1.227 1.00 0.60 H new ATOM 0 HG22 VAL A 67 4.315 -2.666 1.965 1.00 0.60 H new ATOM 0 HG23 VAL A 67 2.971 -1.740 2.674 1.00 0.60 H new ATOM 1022 N ASN A 68 3.523 -0.426 5.717 1.00 0.42 N ATOM 1023 CA ASN A 68 2.263 -0.185 6.404 1.00 0.49 C ATOM 1024 C ASN A 68 1.595 1.039 5.796 1.00 0.43 C ATOM 1025 O ASN A 68 2.181 2.121 5.779 1.00 0.50 O ATOM 1026 CB ASN A 68 2.485 0.059 7.907 1.00 0.74 C ATOM 1027 CG ASN A 68 3.215 -1.065 8.629 1.00 0.99 C ATOM 1028 OD1 ASN A 68 3.950 -0.815 9.583 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.018 -2.302 8.198 1.00 1.60 N ATOM 0 H ASN A 68 4.142 0.384 5.689 1.00 0.42 H new ATOM 0 HA ASN A 68 1.632 -1.066 6.288 1.00 0.49 H new ATOM 0 HB2 ASN A 68 3.051 0.982 8.032 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.517 0.212 8.384 1.00 0.74 H new ATOM 0 HD21 ASN A 68 3.483 -3.083 8.661 1.00 1.60 H new ATOM 0 HD22 ASN A 68 2.402 -2.473 7.404 1.00 1.60 H new ATOM 1036 N ILE A 69 0.382 0.879 5.285 1.00 0.42 N ATOM 1037 CA ILE A 69 -0.314 1.994 4.654 1.00 0.41 C ATOM 1038 C ILE A 69 -1.243 2.665 5.658 1.00 0.41 C ATOM 1039 O ILE A 69 -2.419 2.333 5.741 1.00 0.50 O ATOM 1040 CB ILE A 69 -1.162 1.557 3.438 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.518 0.385 2.684 1.00 0.48 C ATOM 1042 CG2 ILE A 69 -1.364 2.739 2.503 1.00 0.81 C ATOM 1043 CD1 ILE A 69 0.821 0.698 2.061 1.00 0.74 C ATOM 0 H ILE A 69 -0.136 0.000 5.294 1.00 0.42 H new ATOM 0 HA ILE A 69 0.458 2.682 4.308 1.00 0.41 H new ATOM 0 HB ILE A 69 -2.128 1.214 3.807 1.00 0.50 H new ATOM 0 HG12 ILE A 69 -0.397 -0.451 3.373 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -1.200 0.055 1.900 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -1.962 2.427 1.647 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -1.880 3.539 3.034 1.00 0.81 H new ATOM 0 HG23 ILE A 69 -0.395 3.099 2.157 1.00 0.81 H new ATOM 0 HD11 ILE A 69 1.200 -0.187 1.550 1.00 0.74 H new ATOM 0 HD12 ILE A 69 0.707 1.511 1.343 1.00 0.74 H new ATOM 0 HD13 ILE A 69 1.523 0.997 2.839 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.722 3.601 6.428 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.517 4.222 7.475 1.00 0.45 C ATOM 1057 C ARG A 70 -2.176 5.497 6.974 1.00 0.39 C ATOM 1058 O ARG A 70 -1.509 6.358 6.394 1.00 0.41 O ATOM 1059 CB ARG A 70 -0.659 4.541 8.702 1.00 0.55 C ATOM 1060 CG ARG A 70 0.060 3.339 9.289 1.00 1.33 C ATOM 1061 CD ARG A 70 -0.898 2.195 9.584 1.00 1.39 C ATOM 1062 NE ARG A 70 -2.019 2.604 10.433 1.00 2.23 N ATOM 1063 CZ ARG A 70 -2.475 1.883 11.456 1.00 2.69 C ATOM 1064 NH1 ARG A 70 -1.859 0.756 11.804 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -3.540 2.292 12.133 1.00 3.79 N ATOM 0 H ARG A 70 0.235 3.946 6.352 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.291 3.510 7.760 1.00 0.45 H new ATOM 0 HB2 ARG A 70 0.080 5.294 8.429 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -1.294 4.981 9.471 1.00 0.55 H new ATOM 0 HG2 ARG A 70 0.828 3.000 8.594 1.00 1.33 H new ATOM 0 HG3 ARG A 70 0.569 3.633 10.207 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -1.284 1.798 8.645 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -0.353 1.387 10.072 1.00 1.39 H new ATOM 0 HE ARG A 70 -2.477 3.492 10.229 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -1.037 0.444 11.287 1.00 2.42 H new ATOM 0 HH12 ARG A 70 -2.209 0.205 12.588 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -4.010 3.158 11.870 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -3.889 1.740 12.916 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.500 5.618 7.161 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.224 6.853 6.873 1.00 0.44 C ATOM 1081 C PRO A 71 -3.585 8.062 7.536 1.00 0.47 C ATOM 1082 O PRO A 71 -3.243 8.027 8.722 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.605 6.620 7.468 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.774 5.145 7.537 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.398 4.541 7.623 1.00 0.50 C ATOM 0 HA PRO A 71 -4.233 7.065 5.804 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.685 7.069 8.458 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.379 7.073 6.849 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.371 4.867 8.406 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.301 4.777 6.657 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.161 4.234 8.642 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.312 3.654 6.995 1.00 0.50 H new ATOM 1093 N MET A 72 -3.428 9.129 6.771 1.00 0.52 N ATOM 1094 CA MET A 72 -2.866 10.357 7.292 1.00 0.65 C ATOM 1095 C MET A 72 -3.934 11.115 8.080 1.00 0.81 C ATOM 1096 O MET A 72 -4.608 11.991 7.540 1.00 1.66 O ATOM 1097 CB MET A 72 -2.317 11.219 6.146 1.00 0.75 C ATOM 1098 CG MET A 72 -1.541 12.439 6.611 1.00 0.89 C ATOM 1099 SD MET A 72 -0.850 13.375 5.234 1.00 1.54 S ATOM 1100 CE MET A 72 0.131 14.584 6.116 1.00 1.71 C ATOM 0 H MET A 72 -3.684 9.166 5.784 1.00 0.52 H new ATOM 0 HA MET A 72 -2.039 10.120 7.962 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.669 10.605 5.521 1.00 0.75 H new ATOM 0 HB3 MET A 72 -3.147 11.546 5.520 1.00 0.75 H new ATOM 0 HG2 MET A 72 -2.198 13.085 7.193 1.00 0.89 H new ATOM 0 HG3 MET A 72 -0.735 12.124 7.274 1.00 0.89 H new ATOM 0 HE1 MET A 72 0.625 15.242 5.402 1.00 1.71 H new ATOM 0 HE2 MET A 72 -0.516 15.174 6.765 1.00 1.71 H new ATOM 0 HE3 MET A 72 0.882 14.073 6.719 1.00 1.71 H new ATOM 1110 N ASP A 73 -4.132 10.704 9.336 1.00 0.85 N ATOM 1111 CA ASP A 73 -5.082 11.354 10.255 1.00 0.91 C ATOM 1112 C ASP A 73 -6.531 11.186 9.802 1.00 0.97 C ATOM 1113 O ASP A 73 -7.413 11.928 10.237 1.00 1.54 O ATOM 1114 CB ASP A 73 -4.778 12.850 10.401 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.461 13.127 11.092 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.341 12.825 12.298 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -2.527 13.618 10.426 1.00 1.92 O ATOM 0 H ASP A 73 -3.640 9.911 9.748 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.959 10.859 11.218 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -4.766 13.310 9.413 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -5.582 13.324 10.963 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.793 10.200 8.958 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.130 10.026 8.397 1.00 0.90 C ATOM 1124 C ASN A 74 -8.741 8.675 8.755 1.00 1.03 C ATOM 1125 O ASN A 74 -8.311 7.639 8.256 1.00 1.89 O ATOM 1126 CB ASN A 74 -8.106 10.201 6.878 1.00 0.90 C ATOM 1127 CG ASN A 74 -8.199 11.652 6.441 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -9.291 12.173 6.212 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -7.060 12.316 6.313 1.00 1.21 N ATOM 0 H ASN A 74 -6.107 9.512 8.647 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.758 10.798 8.840 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -7.187 9.768 6.483 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.934 9.643 6.441 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -7.069 13.292 6.016 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.174 11.852 6.512 1.00 1.21 H new ATOM 1136 N SER A 75 -9.726 8.719 9.650 1.00 0.90 N ATOM 1137 CA SER A 75 -10.596 7.583 9.993 1.00 0.90 C ATOM 1138 C SER A 75 -9.837 6.386 10.575 1.00 0.84 C ATOM 1139 O SER A 75 -8.613 6.413 10.743 1.00 0.93 O ATOM 1140 CB SER A 75 -11.433 7.146 8.779 1.00 0.93 C ATOM 1141 OG SER A 75 -10.618 6.695 7.715 1.00 1.70 O ATOM 0 H SER A 75 -9.951 9.565 10.173 1.00 0.90 H new ATOM 0 HA SER A 75 -11.260 7.942 10.779 1.00 0.90 H new ATOM 0 HB2 SER A 75 -12.116 6.350 9.076 1.00 0.93 H new ATOM 0 HB3 SER A 75 -12.045 7.982 8.439 1.00 0.93 H new ATOM 0 HG SER A 75 -9.679 6.700 7.997 1.00 1.70 H new ATOM 1147 N ALA A 76 -10.590 5.342 10.903 1.00 0.82 N ATOM 1148 CA ALA A 76 -10.025 4.117 11.441 1.00 0.78 C ATOM 1149 C ALA A 76 -10.045 3.014 10.390 1.00 0.63 C ATOM 1150 O ALA A 76 -11.106 2.629 9.892 1.00 0.77 O ATOM 1151 CB ALA A 76 -10.794 3.679 12.679 1.00 0.94 C ATOM 0 H ALA A 76 -11.605 5.324 10.803 1.00 0.82 H new ATOM 0 HA ALA A 76 -8.990 4.309 11.722 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -10.359 2.760 13.071 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -10.737 4.460 13.438 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -11.837 3.504 12.416 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.869 2.518 10.051 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.736 1.466 9.056 1.00 0.38 C ATOM 1159 C TRP A 77 -8.312 0.163 9.716 1.00 0.40 C ATOM 1160 O TRP A 77 -7.629 0.167 10.741 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.714 1.870 7.986 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.226 2.881 7.003 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -9.039 3.946 7.266 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -7.941 2.935 5.601 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.296 4.641 6.110 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.628 4.044 5.076 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.173 2.152 4.738 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.571 4.385 3.728 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.118 2.493 3.400 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -7.811 3.602 2.908 1.00 0.42 C ATOM 0 H TRP A 77 -7.985 2.829 10.453 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.705 1.318 8.579 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.829 2.273 8.478 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.399 0.978 7.444 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.424 4.204 8.241 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.889 5.468 6.034 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.631 1.295 5.109 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.109 5.239 3.344 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -6.529 1.892 2.723 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -7.744 3.845 1.858 1.00 0.42 H new ATOM 1181 N THR A 78 -8.741 -0.948 9.142 1.00 0.38 N ATOM 1182 CA THR A 78 -8.320 -2.254 9.600 1.00 0.40 C ATOM 1183 C THR A 78 -6.974 -2.589 8.973 1.00 0.36 C ATOM 1184 O THR A 78 -6.862 -2.753 7.757 1.00 0.37 O ATOM 1185 CB THR A 78 -9.364 -3.332 9.249 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.637 -2.964 9.803 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.946 -4.693 9.789 1.00 0.49 C ATOM 0 H THR A 78 -9.386 -0.967 8.352 1.00 0.38 H new ATOM 0 HA THR A 78 -8.224 -2.235 10.686 1.00 0.40 H new ATOM 0 HB THR A 78 -9.438 -3.401 8.164 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.302 -3.648 9.579 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.700 -5.435 9.527 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.989 -4.979 9.353 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.850 -4.640 10.873 1.00 0.49 H new ATOM 1195 N THR A 79 -5.955 -2.659 9.808 1.00 0.41 N ATOM 1196 CA THR A 79 -4.595 -2.784 9.327 1.00 0.40 C ATOM 1197 C THR A 79 -4.188 -4.237 9.103 1.00 0.38 C ATOM 1198 O THR A 79 -3.712 -4.928 10.007 1.00 0.50 O ATOM 1199 CB THR A 79 -3.602 -2.065 10.273 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.244 -2.303 9.873 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.792 -2.491 11.722 1.00 0.59 C ATOM 0 H THR A 79 -6.045 -2.631 10.824 1.00 0.41 H new ATOM 0 HA THR A 79 -4.557 -2.293 8.354 1.00 0.40 H new ATOM 0 HB THR A 79 -3.813 -0.998 10.200 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.052 -1.801 9.053 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.076 -1.964 12.353 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.805 -2.249 12.042 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.630 -3.565 11.810 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.427 -4.708 7.892 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.849 -5.955 7.431 1.00 0.32 C ATOM 1211 C ASP A 80 -2.630 -5.624 6.604 1.00 0.36 C ATOM 1212 O ASP A 80 -2.582 -4.578 5.958 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.854 -6.775 6.614 1.00 0.34 C ATOM 1214 CG ASP A 80 -5.745 -7.628 7.491 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -6.766 -7.113 7.992 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -5.422 -8.820 7.694 1.00 1.70 O ATOM 0 H ASP A 80 -5.022 -4.241 7.207 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.571 -6.567 8.289 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.471 -6.102 6.019 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.315 -7.415 5.915 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.638 -6.489 6.621 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.391 -6.184 5.944 1.00 0.57 C ATOM 1223 C ASN A 81 -0.459 -6.606 4.488 1.00 0.59 C ATOM 1224 O ASN A 81 0.552 -6.630 3.796 1.00 0.72 O ATOM 1225 CB ASN A 81 0.786 -6.871 6.627 1.00 0.68 C ATOM 1226 CG ASN A 81 1.987 -5.950 6.752 1.00 0.81 C ATOM 1227 OD1 ASN A 81 2.794 -5.862 5.704 1.00 1.39 O flip ATOM 1228 ND2 ASN A 81 2.175 -5.306 7.781 1.00 0.80 N flip ATOM 0 H ASN A 81 -1.666 -7.396 7.088 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.240 -5.106 5.996 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.483 -7.209 7.618 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.067 -7.758 6.060 1.00 0.68 H new ATOM 0 HD21 ASN A 81 1.531 -5.401 8.567 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.975 -4.677 7.850 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.655 -6.945 4.036 1.00 0.55 N ATOM 1236 CA GLY A 82 -1.862 -7.278 2.643 1.00 0.65 C ATOM 1237 C GLY A 82 -2.948 -6.428 2.023 1.00 0.48 C ATOM 1238 O GLY A 82 -2.946 -6.184 0.817 1.00 0.57 O ATOM 0 H GLY A 82 -2.493 -6.996 4.615 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -0.931 -7.139 2.093 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.129 -8.331 2.556 1.00 0.65 H new ATOM 1242 N VAL A 83 -3.877 -5.980 2.855 1.00 0.40 N ATOM 1243 CA VAL A 83 -4.953 -5.107 2.421 1.00 0.44 C ATOM 1244 C VAL A 83 -5.202 -4.060 3.491 1.00 0.36 C ATOM 1245 O VAL A 83 -5.196 -4.372 4.678 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.268 -5.885 2.144 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.081 -6.882 1.014 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.759 -6.604 3.394 1.00 0.67 C ATOM 0 H VAL A 83 -3.904 -6.212 3.848 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.647 -4.640 1.485 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.021 -5.155 1.848 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.016 -7.414 0.840 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -5.790 -6.353 0.107 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.303 -7.596 1.284 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.681 -7.139 3.167 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.001 -7.312 3.728 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -6.947 -5.875 4.183 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.408 -2.820 3.095 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.653 -1.788 4.075 1.00 0.29 C ATOM 1260 C PHE A 84 -6.989 -1.152 3.792 1.00 0.29 C ATOM 1261 O PHE A 84 -7.136 -0.452 2.799 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.540 -0.746 4.056 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.051 -0.400 5.431 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.824 0.368 6.283 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.820 -0.855 5.874 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.379 0.678 7.553 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.369 -0.547 7.139 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.150 0.219 7.981 1.00 0.36 C ATOM 0 H PHE A 84 -5.411 -2.509 2.123 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.667 -2.231 5.071 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.707 -1.121 3.462 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.901 0.157 3.565 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.786 0.729 5.951 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.207 -1.458 5.221 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.991 1.278 8.210 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.406 -0.904 7.471 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.799 0.459 8.974 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.960 -1.416 4.649 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.327 -0.982 4.398 1.00 0.34 C ATOM 1280 C TYR A 85 -9.967 -0.427 5.648 1.00 0.34 C ATOM 1281 O TYR A 85 -9.784 -0.963 6.737 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.192 -2.134 3.862 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.257 -3.355 4.755 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.121 -4.108 5.029 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.460 -3.758 5.312 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.184 -5.227 5.834 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -11.533 -4.879 6.117 1.00 0.51 C ATOM 1288 CZ TYR A 85 -10.391 -5.609 6.375 1.00 0.53 C ATOM 1289 OH TYR A 85 -10.458 -6.731 7.168 1.00 0.59 O ATOM 0 H TYR A 85 -7.830 -1.927 5.522 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.272 -0.196 3.645 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.205 -1.764 3.703 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.806 -2.435 2.888 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.173 -3.812 4.605 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.355 -3.187 5.114 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.292 -5.800 6.038 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -12.479 -5.182 6.542 1.00 0.51 H new ATOM 0 HH TYR A 85 -11.179 -6.626 7.824 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.712 0.650 5.493 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.515 1.152 6.584 1.00 0.37 C ATOM 1301 C LYS A 86 -12.716 0.240 6.777 1.00 0.39 C ATOM 1302 O LYS A 86 -13.249 -0.311 5.813 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.968 2.595 6.334 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.836 2.789 5.100 1.00 0.57 C ATOM 1305 CD LYS A 86 -13.530 4.140 5.145 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.341 4.418 3.887 1.00 0.61 C ATOM 1307 NZ LYS A 86 -15.119 5.682 4.009 1.00 1.39 N ATOM 0 H LYS A 86 -10.776 1.188 4.629 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.909 1.159 7.490 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.520 2.944 7.207 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -11.085 3.227 6.242 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -12.223 2.718 4.202 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.579 1.994 5.042 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -14.187 4.179 6.014 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.784 4.924 5.274 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.673 4.482 3.028 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -15.021 3.587 3.700 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.337 6.048 3.060 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -16.005 5.496 4.520 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.559 6.385 4.532 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.101 0.049 8.022 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.275 -0.755 8.348 1.00 0.51 C ATOM 1323 C ASN A 87 -15.537 -0.088 7.801 1.00 0.55 C ATOM 1324 O ASN A 87 -16.532 -0.750 7.504 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.381 -0.939 9.867 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.523 -1.853 10.287 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.803 -2.881 9.499 1.00 2.00 O flip ATOM 1328 ND2 ASN A 87 -16.130 -1.650 11.339 1.00 2.12 N flip ATOM 0 H ASN A 87 -12.620 0.439 8.832 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.173 -1.736 7.885 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.442 -1.347 10.242 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.515 0.036 10.335 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.888 -0.848 11.921 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -16.875 -2.284 11.628 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.472 1.231 7.660 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.578 2.012 7.122 1.00 0.54 C ATOM 1337 C ASP A 88 -16.722 1.775 5.628 1.00 0.46 C ATOM 1338 O ASP A 88 -15.745 1.489 4.936 1.00 0.53 O ATOM 1339 CB ASP A 88 -16.354 3.507 7.367 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.088 3.829 8.820 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -17.059 3.959 9.594 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -14.907 3.961 9.190 1.00 2.10 O ATOM 0 H ASP A 88 -14.655 1.786 7.914 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.487 1.693 7.631 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.512 3.847 6.764 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -17.231 4.061 7.031 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.937 1.902 5.128 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.182 1.775 3.705 1.00 0.51 C ATOM 1349 C VAL A 89 -18.644 3.109 3.127 1.00 0.51 C ATOM 1350 O VAL A 89 -19.611 3.704 3.600 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.219 0.669 3.388 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.680 -0.698 3.771 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.545 0.926 4.091 1.00 0.93 C ATOM 0 H VAL A 89 -18.769 2.093 5.687 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.241 1.484 3.238 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.399 0.689 2.313 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.424 -1.460 3.540 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -17.768 -0.900 3.210 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.461 -0.717 4.839 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.248 0.130 3.845 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.387 0.950 5.169 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.951 1.883 3.763 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.924 3.598 2.131 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.305 4.841 1.493 1.00 0.46 C ATOM 1365 C GLY A 90 -17.102 5.663 1.090 1.00 0.39 C ATOM 1366 O GLY A 90 -15.966 5.197 1.200 1.00 0.43 O ATOM 0 H GLY A 90 -17.085 3.159 1.753 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.909 4.626 0.611 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.929 5.421 2.173 1.00 0.46 H new ATOM 1370 N SER A 91 -17.351 6.878 0.623 1.00 0.44 N ATOM 1371 CA SER A 91 -16.298 7.781 0.199 1.00 0.50 C ATOM 1372 C SER A 91 -15.274 8.001 1.306 1.00 0.48 C ATOM 1373 O SER A 91 -15.610 8.009 2.490 1.00 0.77 O ATOM 1374 CB SER A 91 -16.914 9.112 -0.226 1.00 0.69 C ATOM 1375 OG SER A 91 -17.837 9.579 0.748 1.00 1.17 O ATOM 0 H SER A 91 -18.291 7.263 0.528 1.00 0.44 H new ATOM 0 HA SER A 91 -15.776 7.332 -0.646 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.127 9.852 -0.370 1.00 0.69 H new ATOM 0 HB3 SER A 91 -17.420 8.993 -1.184 1.00 0.69 H new ATOM 0 HG SER A 91 -18.217 10.433 0.455 1.00 1.17 H new ATOM 1381 N TRP A 92 -14.026 8.159 0.913 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.955 8.391 1.863 1.00 0.45 C ATOM 1383 C TRP A 92 -12.182 9.639 1.473 1.00 0.44 C ATOM 1384 O TRP A 92 -12.035 10.552 2.280 1.00 0.49 O ATOM 1385 CB TRP A 92 -12.036 7.182 1.934 1.00 0.47 C ATOM 1386 CG TRP A 92 -11.093 7.279 3.075 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -11.378 7.061 4.385 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.722 7.648 3.013 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -10.262 7.274 5.148 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -9.228 7.632 4.326 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.867 7.990 1.974 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.909 7.943 4.624 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.566 8.299 2.270 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -7.093 8.276 3.587 1.00 0.51 C ATOM 0 H TRP A 92 -13.727 8.131 -0.062 1.00 0.50 H new ATOM 0 HA TRP A 92 -13.384 8.544 2.853 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.633 6.275 2.031 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.475 7.096 1.004 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -12.343 6.763 4.768 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -10.210 7.181 6.162 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -9.220 8.012 0.954 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.544 7.922 5.640 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.891 8.566 1.470 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -6.061 8.527 3.784 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.724 9.648 0.222 1.00 0.47 N ATOM 1406 CA GLY A 93 -11.012 10.789 -0.358 1.00 0.49 C ATOM 1407 C GLY A 93 -10.115 11.546 0.610 1.00 0.57 C ATOM 1408 O GLY A 93 -10.533 12.538 1.214 1.00 1.25 O ATOM 0 H GLY A 93 -11.836 8.863 -0.420 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -10.405 10.434 -1.191 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.744 11.483 -0.770 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.879 11.097 0.736 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.948 11.730 1.643 1.00 0.50 C ATOM 1414 C GLY A 94 -6.510 11.426 1.287 1.00 0.50 C ATOM 1415 O GLY A 94 -6.116 11.545 0.127 1.00 0.72 O ATOM 0 H GLY A 94 -8.501 10.300 0.223 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -8.104 12.809 1.628 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -8.148 11.393 2.660 1.00 0.50 H new ATOM 1419 N THR A 95 -5.728 11.031 2.281 1.00 0.46 N ATOM 1420 CA THR A 95 -4.332 10.682 2.073 1.00 0.45 C ATOM 1421 C THR A 95 -3.908 9.516 2.966 1.00 0.40 C ATOM 1422 O THR A 95 -4.217 9.486 4.158 1.00 0.45 O ATOM 1423 CB THR A 95 -3.409 11.892 2.335 1.00 0.53 C ATOM 1424 OG1 THR A 95 -4.001 12.761 3.311 1.00 0.60 O ATOM 1425 CG2 THR A 95 -3.137 12.665 1.054 1.00 0.60 C ATOM 0 H THR A 95 -6.041 10.944 3.248 1.00 0.46 H new ATOM 0 HA THR A 95 -4.233 10.379 1.031 1.00 0.45 H new ATOM 0 HB THR A 95 -2.459 11.515 2.714 1.00 0.53 H new ATOM 0 HG1 THR A 95 -3.408 13.524 3.472 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.484 13.511 1.271 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.653 12.010 0.329 1.00 0.60 H new ATOM 0 HG23 THR A 95 -4.078 13.029 0.642 1.00 0.60 H new ATOM 1433 N ILE A 96 -3.232 8.544 2.370 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.632 7.443 3.114 1.00 0.39 C ATOM 1435 C ILE A 96 -1.143 7.371 2.797 1.00 0.40 C ATOM 1436 O ILE A 96 -0.735 7.651 1.673 1.00 0.54 O ATOM 1437 CB ILE A 96 -3.316 6.079 2.818 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -3.745 5.962 1.354 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.513 5.863 3.726 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.625 5.605 0.407 1.00 1.63 C ATOM 0 H ILE A 96 -3.084 8.495 1.362 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.779 7.641 4.176 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.576 5.304 3.016 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -4.527 5.206 1.276 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -4.184 6.909 1.039 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.974 4.902 3.498 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -4.187 5.872 4.766 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -5.239 6.660 3.566 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -3.014 5.542 -0.609 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -1.852 6.372 0.453 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -2.200 4.643 0.693 1.00 1.63 H new ATOM 1452 N GLY A 97 -0.333 7.024 3.777 1.00 0.39 N ATOM 1453 CA GLY A 97 1.099 7.043 3.576 1.00 0.45 C ATOM 1454 C GLY A 97 1.714 5.677 3.729 1.00 0.39 C ATOM 1455 O GLY A 97 1.183 4.832 4.450 1.00 0.37 O ATOM 0 H GLY A 97 -0.636 6.730 4.705 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.319 7.429 2.581 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.555 7.727 4.291 1.00 0.45 H new ATOM 1459 N ILE A 98 2.821 5.449 3.043 1.00 0.38 N ATOM 1460 CA ILE A 98 3.530 4.193 3.164 1.00 0.36 C ATOM 1461 C ILE A 98 4.667 4.313 4.171 1.00 0.38 C ATOM 1462 O ILE A 98 5.634 5.050 3.964 1.00 0.42 O ATOM 1463 CB ILE A 98 4.063 3.715 1.795 1.00 0.41 C ATOM 1464 CG1 ILE A 98 2.885 3.363 0.888 1.00 0.50 C ATOM 1465 CG2 ILE A 98 4.992 2.519 1.963 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.286 2.959 -0.516 1.00 0.83 C ATOM 0 H ILE A 98 3.245 6.117 2.399 1.00 0.38 H new ATOM 0 HA ILE A 98 2.824 3.445 3.526 1.00 0.36 H new ATOM 0 HB ILE A 98 4.639 4.519 1.337 1.00 0.41 H new ATOM 0 HG12 ILE A 98 2.321 2.548 1.342 1.00 0.50 H new ATOM 0 HG13 ILE A 98 2.215 4.221 0.831 1.00 0.50 H new ATOM 0 HG21 ILE A 98 5.355 2.200 0.986 1.00 0.45 H new ATOM 0 HG22 ILE A 98 5.838 2.801 2.590 1.00 0.45 H new ATOM 0 HG23 ILE A 98 4.449 1.700 2.433 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.393 2.725 -1.096 1.00 0.83 H new ATOM 0 HD12 ILE A 98 3.823 3.780 -0.991 1.00 0.83 H new ATOM 0 HD13 ILE A 98 3.931 2.081 -0.472 1.00 0.83 H new ATOM 1478 N TYR A 99 4.506 3.605 5.277 1.00 0.42 N ATOM 1479 CA TYR A 99 5.509 3.530 6.321 1.00 0.53 C ATOM 1480 C TYR A 99 6.203 2.179 6.214 1.00 0.44 C ATOM 1481 O TYR A 99 5.632 1.245 5.653 1.00 0.50 O ATOM 1482 CB TYR A 99 4.844 3.663 7.704 1.00 0.73 C ATOM 1483 CG TYR A 99 3.941 4.876 7.886 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.810 5.038 7.100 1.00 0.74 C ATOM 1485 CD2 TYR A 99 4.226 5.866 8.818 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.988 6.140 7.237 1.00 0.82 C ATOM 1487 CE2 TYR A 99 3.409 6.972 8.963 1.00 1.11 C ATOM 1488 CZ TYR A 99 2.285 7.086 8.265 1.00 0.92 C ATOM 1489 OH TYR A 99 1.471 8.203 8.308 1.00 1.28 O ATOM 0 H TYR A 99 3.666 3.061 5.475 1.00 0.42 H new ATOM 0 HA TYR A 99 6.230 4.339 6.205 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.257 2.764 7.893 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.627 3.698 8.462 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.566 4.286 6.364 1.00 0.74 H new ATOM 0 HD2 TYR A 99 5.103 5.770 9.441 1.00 0.88 H new ATOM 0 HE1 TYR A 99 1.141 6.283 6.582 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.689 7.754 9.653 1.00 1.11 H new ATOM 0 HH TYR A 99 1.754 8.786 9.043 1.00 1.28 H new ATOM 1499 N VAL A 100 7.418 2.061 6.723 1.00 0.44 N ATOM 1500 CA VAL A 100 8.079 0.766 6.736 1.00 0.40 C ATOM 1501 C VAL A 100 7.686 0.009 8.002 1.00 0.42 C ATOM 1502 O VAL A 100 7.688 0.573 9.098 1.00 0.56 O ATOM 1503 CB VAL A 100 9.618 0.876 6.630 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.241 1.324 7.938 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.212 -0.443 6.174 1.00 0.78 C ATOM 0 H VAL A 100 7.958 2.828 7.125 1.00 0.44 H new ATOM 0 HA VAL A 100 7.747 0.219 5.854 1.00 0.40 H new ATOM 0 HB VAL A 100 9.846 1.639 5.885 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.323 1.389 7.822 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.846 2.302 8.213 1.00 1.14 H new ATOM 0 HG13 VAL A 100 10.002 0.603 8.720 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.296 -0.349 6.104 1.00 0.78 H new ATOM 0 HG22 VAL A 100 9.961 -1.223 6.893 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.807 -0.706 5.197 1.00 0.78 H new ATOM 1515 N ASP A 101 7.326 -1.251 7.844 1.00 0.40 N ATOM 1516 CA ASP A 101 6.837 -2.054 8.959 1.00 0.50 C ATOM 1517 C ASP A 101 7.902 -2.230 10.040 1.00 0.59 C ATOM 1518 O ASP A 101 8.838 -3.018 9.882 1.00 0.77 O ATOM 1519 CB ASP A 101 6.368 -3.424 8.464 1.00 0.67 C ATOM 1520 CG ASP A 101 5.744 -4.260 9.565 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.522 -4.127 9.801 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.470 -5.046 10.206 1.00 1.02 O ATOM 0 H ASP A 101 7.362 -1.746 6.953 1.00 0.40 H new ATOM 0 HA ASP A 101 5.995 -1.521 9.400 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.643 -3.288 7.661 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.215 -3.963 8.040 1.00 0.67 H new ATOM 1527 N GLY A 102 7.768 -1.458 11.117 1.00 0.61 N ATOM 1528 CA GLY A 102 8.615 -1.623 12.286 1.00 0.81 C ATOM 1529 C GLY A 102 10.057 -1.201 12.069 1.00 0.85 C ATOM 1530 O GLY A 102 10.938 -1.637 12.810 1.00 1.53 O ATOM 0 H GLY A 102 7.078 -0.712 11.200 1.00 0.61 H new ATOM 0 HA2 GLY A 102 8.198 -1.043 13.109 1.00 0.81 H new ATOM 0 HA3 GLY A 102 8.595 -2.669 12.591 1.00 0.81 H new ATOM 1534 N GLN A 103 10.289 -0.322 11.089 1.00 0.64 N ATOM 1535 CA GLN A 103 11.643 0.093 10.711 1.00 0.60 C ATOM 1536 C GLN A 103 12.491 -1.115 10.304 1.00 0.61 C ATOM 1537 O GLN A 103 13.062 -1.805 11.145 1.00 0.65 O ATOM 1538 CB GLN A 103 12.328 0.868 11.842 1.00 0.71 C ATOM 1539 CG GLN A 103 13.665 1.466 11.440 1.00 1.01 C ATOM 1540 CD GLN A 103 14.338 2.211 12.575 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.179 1.860 13.744 1.00 1.78 O ATOM 1542 NE2 GLN A 103 15.094 3.244 12.243 1.00 2.11 N ATOM 0 H GLN A 103 9.551 0.118 10.540 1.00 0.64 H new ATOM 0 HA GLN A 103 11.552 0.759 9.853 1.00 0.60 H new ATOM 0 HB2 GLN A 103 11.667 1.667 12.177 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.477 0.201 12.691 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.324 0.671 11.092 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.516 2.147 10.602 1.00 1.01 H new ATOM 0 HE21 GLN A 103 15.201 3.504 11.262 1.00 2.11 H new ATOM 0 HE22 GLN A 103 15.570 3.781 12.968 1.00 2.11 H new ATOM 1551 N GLN A 104 12.591 -1.346 9.004 1.00 0.73 N ATOM 1552 CA GLN A 104 13.278 -2.523 8.485 1.00 0.94 C ATOM 1553 C GLN A 104 14.779 -2.288 8.384 1.00 1.02 C ATOM 1554 O GLN A 104 15.491 -3.042 7.721 1.00 1.28 O ATOM 1555 CB GLN A 104 12.697 -2.915 7.129 1.00 1.12 C ATOM 1556 CG GLN A 104 11.303 -3.516 7.231 1.00 1.96 C ATOM 1557 CD GLN A 104 11.306 -4.909 7.826 1.00 1.98 C ATOM 1558 OE1 GLN A 104 12.237 -5.686 7.615 1.00 2.02 O ATOM 1559 NE2 GLN A 104 10.276 -5.224 8.596 1.00 2.62 N ATOM 0 H GLN A 104 12.205 -0.733 8.286 1.00 0.73 H new ATOM 0 HA GLN A 104 13.122 -3.345 9.184 1.00 0.94 H new ATOM 0 HB2 GLN A 104 12.661 -2.035 6.487 1.00 1.12 H new ATOM 0 HB3 GLN A 104 13.362 -3.633 6.649 1.00 1.12 H new ATOM 0 HG2 GLN A 104 10.676 -2.866 7.842 1.00 1.96 H new ATOM 0 HG3 GLN A 104 10.854 -3.551 6.238 1.00 1.96 H new ATOM 0 HE21 GLN A 104 9.525 -4.550 8.744 1.00 2.62 H new ATOM 0 HE22 GLN A 104 10.233 -6.141 9.041 1.00 2.62 H new ATOM 1568 N THR A 105 15.239 -1.222 9.035 1.00 1.14 N ATOM 1569 CA THR A 105 16.665 -0.958 9.208 1.00 1.42 C ATOM 1570 C THR A 105 17.328 -0.471 7.910 1.00 1.11 C ATOM 1571 O THR A 105 18.502 -0.097 7.908 1.00 1.04 O ATOM 1572 CB THR A 105 17.379 -2.224 9.742 1.00 1.90 C ATOM 1573 OG1 THR A 105 16.638 -2.764 10.848 1.00 2.27 O ATOM 1574 CG2 THR A 105 18.792 -1.924 10.203 1.00 2.43 C ATOM 0 H THR A 105 14.634 -0.518 9.457 1.00 1.14 H new ATOM 0 HA THR A 105 16.764 -0.154 9.937 1.00 1.42 H new ATOM 0 HB THR A 105 17.430 -2.942 8.923 1.00 1.90 H new ATOM 0 HG1 THR A 105 17.090 -3.566 11.184 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.257 -2.839 10.570 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.372 -1.532 9.367 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.764 -1.185 11.004 1.00 2.43 H new ATOM 1582 N ASN A 106 16.555 -0.435 6.823 1.00 1.04 N ATOM 1583 CA ASN A 106 17.069 -0.054 5.509 1.00 0.88 C ATOM 1584 C ASN A 106 18.123 -1.056 5.044 1.00 0.81 C ATOM 1585 O ASN A 106 19.321 -0.888 5.278 1.00 0.79 O ATOM 1586 CB ASN A 106 17.623 1.378 5.542 1.00 0.97 C ATOM 1587 CG ASN A 106 18.239 1.836 4.227 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.550 2.379 3.359 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.538 1.637 4.078 1.00 0.80 N ATOM 0 H ASN A 106 15.562 -0.668 6.829 1.00 1.04 H new ATOM 0 HA ASN A 106 16.251 -0.072 4.789 1.00 0.88 H new ATOM 0 HB2 ASN A 106 16.818 2.062 5.811 1.00 0.97 H new ATOM 0 HB3 ASN A 106 18.376 1.447 6.327 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.005 1.936 3.222 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.073 1.184 4.819 1.00 0.80 H new ATOM 1596 N THR A 107 17.647 -2.117 4.419 1.00 0.86 N ATOM 1597 CA THR A 107 18.507 -3.174 3.910 1.00 0.89 C ATOM 1598 C THR A 107 19.214 -2.688 2.657 1.00 0.80 C ATOM 1599 O THR A 107 18.589 -1.985 1.870 1.00 0.86 O ATOM 1600 CB THR A 107 17.660 -4.425 3.588 1.00 1.13 C ATOM 1601 OG1 THR A 107 16.615 -4.557 4.567 1.00 1.68 O ATOM 1602 CG2 THR A 107 18.505 -5.691 3.586 1.00 1.53 C ATOM 0 H THR A 107 16.653 -2.272 4.249 1.00 0.86 H new ATOM 0 HA THR A 107 19.250 -3.435 4.664 1.00 0.89 H new ATOM 0 HB THR A 107 17.237 -4.297 2.591 1.00 1.13 H new ATOM 0 HG1 THR A 107 16.075 -5.349 4.364 1.00 1.68 H new ATOM 0 HG21 THR A 107 17.874 -6.549 3.356 1.00 1.53 H new ATOM 0 HG22 THR A 107 19.289 -5.604 2.833 1.00 1.53 H new ATOM 0 HG23 THR A 107 18.959 -5.827 4.568 1.00 1.53 H new ATOM 1610 N PRO A 108 20.525 -3.031 2.490 1.00 0.82 N ATOM 1611 CA PRO A 108 21.373 -2.614 1.362 1.00 0.84 C ATOM 1612 C PRO A 108 20.599 -2.409 0.064 1.00 0.76 C ATOM 1613 O PRO A 108 20.438 -3.324 -0.742 1.00 0.91 O ATOM 1614 CB PRO A 108 22.375 -3.767 1.228 1.00 1.07 C ATOM 1615 CG PRO A 108 22.216 -4.612 2.463 1.00 1.26 C ATOM 1616 CD PRO A 108 21.302 -3.866 3.402 1.00 0.99 C ATOM 0 HA PRO A 108 21.836 -1.645 1.547 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.177 -4.351 0.329 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.394 -3.389 1.144 1.00 1.07 H new ATOM 0 HG2 PRO A 108 21.796 -5.586 2.211 1.00 1.26 H new ATOM 0 HG3 PRO A 108 23.183 -4.794 2.932 1.00 1.26 H new ATOM 0 HD2 PRO A 108 20.667 -4.543 3.973 1.00 0.99 H new ATOM 0 HD3 PRO A 108 21.860 -3.269 4.123 1.00 0.99 H new ATOM 1624 N PRO A 109 20.112 -1.184 -0.135 1.00 0.61 N ATOM 1625 CA PRO A 109 19.140 -0.874 -1.165 1.00 0.56 C ATOM 1626 C PRO A 109 19.734 -0.398 -2.489 1.00 0.57 C ATOM 1627 O PRO A 109 20.942 -0.476 -2.721 1.00 0.76 O ATOM 1628 CB PRO A 109 18.345 0.241 -0.498 1.00 0.59 C ATOM 1629 CG PRO A 109 19.338 0.972 0.349 1.00 0.64 C ATOM 1630 CD PRO A 109 20.430 -0.008 0.691 1.00 0.63 C ATOM 0 HA PRO A 109 18.570 -1.754 -1.463 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.895 0.902 -1.239 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.532 -0.161 0.106 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.744 1.830 -0.186 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.866 1.355 1.254 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.416 0.392 0.455 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.431 -0.253 1.753 1.00 0.63 H new ATOM 1638 N GLY A 110 18.854 0.109 -3.343 1.00 0.49 N ATOM 1639 CA GLY A 110 19.226 0.550 -4.669 1.00 0.58 C ATOM 1640 C GLY A 110 17.985 0.916 -5.453 1.00 0.54 C ATOM 1641 O GLY A 110 17.676 2.096 -5.635 1.00 0.76 O ATOM 0 H GLY A 110 17.863 0.224 -3.130 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.892 1.410 -4.603 1.00 0.58 H new ATOM 0 HA3 GLY A 110 19.774 -0.239 -5.185 1.00 0.58 H new ATOM 1645 N ASN A 111 17.248 -0.101 -5.871 1.00 0.45 N ATOM 1646 CA ASN A 111 15.979 0.095 -6.557 1.00 0.44 C ATOM 1647 C ASN A 111 14.938 -0.860 -5.986 1.00 0.42 C ATOM 1648 O ASN A 111 15.177 -2.064 -5.905 1.00 0.58 O ATOM 1649 CB ASN A 111 16.138 -0.155 -8.058 1.00 0.56 C ATOM 1650 CG ASN A 111 14.965 0.376 -8.856 1.00 1.10 C ATOM 1651 OD1 ASN A 111 13.938 -0.288 -9.001 1.00 2.04 O ATOM 1652 ND2 ASN A 111 15.124 1.570 -9.399 1.00 1.41 N ATOM 0 H ASN A 111 17.509 -1.079 -5.746 1.00 0.45 H new ATOM 0 HA ASN A 111 15.654 1.124 -6.407 1.00 0.44 H new ATOM 0 HB2 ASN A 111 17.056 0.317 -8.408 1.00 0.56 H new ATOM 0 HB3 ASN A 111 16.242 -1.225 -8.237 1.00 0.56 H new ATOM 0 HD21 ASN A 111 14.379 1.976 -9.964 1.00 1.41 H new ATOM 0 HD22 ASN A 111 15.992 2.085 -9.253 1.00 1.41 H new ATOM 1659 N TYR A 112 13.795 -0.330 -5.569 1.00 0.35 N ATOM 1660 CA TYR A 112 12.737 -1.168 -5.020 1.00 0.37 C ATOM 1661 C TYR A 112 11.413 -0.877 -5.693 1.00 0.42 C ATOM 1662 O TYR A 112 11.076 0.278 -5.961 1.00 0.55 O ATOM 1663 CB TYR A 112 12.591 -0.987 -3.507 1.00 0.40 C ATOM 1664 CG TYR A 112 13.701 -1.636 -2.717 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.901 -0.972 -2.486 1.00 0.64 C ATOM 1666 CD2 TYR A 112 13.550 -2.906 -2.202 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.915 -1.567 -1.760 1.00 0.67 C ATOM 1668 CE2 TYR A 112 14.554 -3.506 -1.478 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.747 -2.821 -1.269 1.00 0.59 C ATOM 1670 OH TYR A 112 16.729 -3.443 -0.542 1.00 0.69 O ATOM 0 H TYR A 112 13.578 0.666 -5.600 1.00 0.35 H new ATOM 0 HA TYR A 112 13.022 -2.202 -5.215 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.565 0.078 -3.277 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.636 -1.405 -3.189 1.00 0.40 H new ATOM 0 HD1 TYR A 112 15.042 0.024 -2.880 1.00 0.64 H new ATOM 0 HD2 TYR A 112 12.626 -3.440 -2.370 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.839 -1.036 -1.584 1.00 0.67 H new ATOM 0 HE2 TYR A 112 14.418 -4.499 -1.076 1.00 0.75 H new ATOM 0 HH TYR A 112 17.240 -4.041 -1.127 1.00 0.69 H new ATOM 1680 N THR A 113 10.674 -1.931 -5.959 1.00 0.38 N ATOM 1681 CA THR A 113 9.371 -1.819 -6.569 1.00 0.46 C ATOM 1682 C THR A 113 8.293 -2.218 -5.572 1.00 0.51 C ATOM 1683 O THR A 113 8.392 -3.252 -4.916 1.00 0.83 O ATOM 1684 CB THR A 113 9.285 -2.713 -7.819 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.329 -2.354 -8.731 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.929 -2.583 -8.505 1.00 0.74 C ATOM 0 H THR A 113 10.961 -2.889 -5.758 1.00 0.38 H new ATOM 0 HA THR A 113 9.215 -0.783 -6.868 1.00 0.46 H new ATOM 0 HB THR A 113 9.403 -3.751 -7.508 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.487 -3.093 -9.354 1.00 0.66 H new ATOM 0 HG21 THR A 113 7.902 -3.227 -9.384 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.141 -2.880 -7.813 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.773 -1.548 -8.809 1.00 0.74 H new ATOM 1694 N LEU A 114 7.299 -1.368 -5.421 1.00 0.34 N ATOM 1695 CA LEU A 114 6.154 -1.680 -4.597 1.00 0.38 C ATOM 1696 C LEU A 114 4.893 -1.117 -5.240 1.00 0.40 C ATOM 1697 O LEU A 114 4.482 0.013 -4.978 1.00 0.47 O ATOM 1698 CB LEU A 114 6.337 -1.168 -3.159 1.00 0.43 C ATOM 1699 CG LEU A 114 6.932 0.234 -3.022 1.00 0.41 C ATOM 1700 CD1 LEU A 114 6.468 0.882 -1.727 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.456 0.194 -3.063 1.00 0.41 C ATOM 0 H LEU A 114 7.263 -0.449 -5.863 1.00 0.34 H new ATOM 0 HA LEU A 114 6.055 -2.763 -4.530 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.367 -1.180 -2.663 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.978 -1.868 -2.623 1.00 0.43 H new ATOM 0 HG LEU A 114 6.582 0.828 -3.866 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.900 1.879 -1.644 1.00 0.51 H new ATOM 0 HD12 LEU A 114 5.381 0.956 -1.727 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.790 0.275 -0.881 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.849 1.206 -2.963 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.826 -0.422 -2.243 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.783 -0.231 -4.012 1.00 0.41 H new ATOM 1713 N THR A 115 4.315 -1.910 -6.122 1.00 0.42 N ATOM 1714 CA THR A 115 3.139 -1.519 -6.870 1.00 0.45 C ATOM 1715 C THR A 115 1.873 -1.869 -6.095 1.00 0.44 C ATOM 1716 O THR A 115 1.767 -2.951 -5.511 1.00 0.47 O ATOM 1717 CB THR A 115 3.124 -2.221 -8.241 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.385 -2.022 -8.895 1.00 0.56 O ATOM 1719 CG2 THR A 115 2.004 -1.688 -9.124 1.00 0.59 C ATOM 0 H THR A 115 4.651 -2.848 -6.340 1.00 0.42 H new ATOM 0 HA THR A 115 3.170 -0.440 -7.022 1.00 0.45 H new ATOM 0 HB THR A 115 2.951 -3.285 -8.077 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.376 -2.470 -9.766 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.021 -2.204 -10.084 1.00 0.59 H new ATOM 0 HG22 THR A 115 1.044 -1.859 -8.637 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.144 -0.619 -9.284 1.00 0.59 H new ATOM 1727 N LEU A 116 0.933 -0.944 -6.067 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.321 -1.145 -5.362 1.00 0.47 C ATOM 1729 C LEU A 116 -1.497 -1.070 -6.325 1.00 0.48 C ATOM 1730 O LEU A 116 -1.758 -0.028 -6.926 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.493 -0.103 -4.256 1.00 0.54 C ATOM 1732 CG LEU A 116 0.255 -0.377 -2.943 1.00 0.61 C ATOM 1733 CD1 LEU A 116 1.748 -0.137 -3.096 1.00 1.27 C ATOM 1734 CD2 LEU A 116 -0.309 0.483 -1.824 1.00 1.05 C ATOM 0 H LEU A 116 1.014 -0.038 -6.528 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.296 -2.137 -4.911 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.166 0.863 -4.641 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.556 -0.013 -4.032 1.00 0.54 H new ATOM 0 HG LEU A 116 0.111 -1.427 -2.688 1.00 0.61 H new ATOM 0 HD11 LEU A 116 2.248 -0.340 -2.149 1.00 1.27 H new ATOM 0 HD12 LEU A 116 2.146 -0.799 -3.865 1.00 1.27 H new ATOM 0 HD13 LEU A 116 1.922 0.900 -3.384 1.00 1.27 H new ATOM 0 HD21 LEU A 116 0.231 0.278 -0.900 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.198 1.536 -2.083 1.00 1.05 H new ATOM 0 HD23 LEU A 116 -1.365 0.253 -1.686 1.00 1.05 H new ATOM 1746 N THR A 117 -2.203 -2.177 -6.457 1.00 0.44 N ATOM 1747 CA THR A 117 -3.362 -2.250 -7.320 1.00 0.48 C ATOM 1748 C THR A 117 -4.615 -1.851 -6.550 1.00 0.58 C ATOM 1749 O THR A 117 -5.022 -2.529 -5.600 1.00 0.70 O ATOM 1750 CB THR A 117 -3.523 -3.668 -7.895 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.302 -4.059 -8.536 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.667 -3.729 -8.898 1.00 0.57 C ATOM 0 H THR A 117 -1.989 -3.047 -5.970 1.00 0.44 H new ATOM 0 HA THR A 117 -3.219 -1.556 -8.149 1.00 0.48 H new ATOM 0 HB THR A 117 -3.753 -4.349 -7.076 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.400 -4.963 -8.902 1.00 0.56 H new ATOM 0 HG21 THR A 117 -4.756 -4.743 -9.287 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.598 -3.446 -8.406 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.467 -3.042 -9.720 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.206 -0.735 -6.947 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.390 -0.252 -6.282 1.00 0.79 C ATOM 1762 C GLY A 118 -7.585 -1.154 -6.506 1.00 0.64 C ATOM 1763 O GLY A 118 -7.742 -1.744 -7.577 1.00 0.80 O ATOM 0 H GLY A 118 -4.883 -0.155 -7.721 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.195 -0.170 -5.213 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.622 0.750 -6.641 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.426 -1.265 -5.494 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.605 -2.089 -5.598 1.00 0.50 C ATOM 1769 C GLY A 119 -10.465 -1.979 -4.367 1.00 0.44 C ATOM 1770 O GLY A 119 -10.105 -1.281 -3.419 1.00 0.53 O ATOM 0 H GLY A 119 -8.311 -0.795 -4.596 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.182 -1.792 -6.474 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.312 -3.128 -5.747 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.601 -2.645 -4.363 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.438 -2.633 -3.188 1.00 0.41 C ATOM 1776 C TYR A 120 -12.262 -3.921 -2.407 1.00 0.43 C ATOM 1777 O TYR A 120 -11.449 -4.783 -2.763 1.00 0.60 O ATOM 1778 CB TYR A 120 -13.916 -2.374 -3.532 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.659 -3.508 -4.216 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.226 -4.545 -3.479 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -14.835 -3.515 -5.596 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -15.940 -5.552 -4.096 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.545 -4.526 -6.219 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.095 -5.539 -5.463 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.817 -6.537 -6.076 1.00 0.89 O ATOM 0 H TYR A 120 -11.959 -3.191 -5.146 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.120 -1.802 -2.558 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.443 -2.127 -2.610 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -13.968 -1.495 -4.174 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.105 -4.561 -2.406 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.411 -2.719 -6.190 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.375 -6.347 -3.508 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.668 -4.522 -7.292 1.00 0.73 H new ATOM 0 HH TYR A 120 -16.833 -6.382 -7.044 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.006 -4.030 -1.333 1.00 0.39 N ATOM 1796 CA TRP A 121 -12.932 -5.166 -0.452 1.00 0.40 C ATOM 1797 C TRP A 121 -14.288 -5.356 0.221 1.00 0.48 C ATOM 1798 O TRP A 121 -14.978 -4.379 0.511 1.00 0.53 O ATOM 1799 CB TRP A 121 -11.822 -4.937 0.586 1.00 0.43 C ATOM 1800 CG TRP A 121 -11.945 -5.809 1.789 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -12.849 -5.657 2.789 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.151 -6.949 2.140 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -12.708 -6.650 3.708 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.673 -7.446 3.344 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.069 -7.614 1.558 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.161 -8.557 3.973 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.560 -8.728 2.206 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.113 -9.184 3.392 1.00 0.51 C ATOM 0 H TRP A 121 -13.685 -3.326 -1.045 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.690 -6.069 -1.012 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -10.854 -5.113 0.116 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -11.839 -3.893 0.900 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.577 -4.861 2.847 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.288 -6.775 4.538 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.641 -7.269 0.628 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.582 -8.917 4.900 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.717 -9.250 1.779 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.697 -10.062 3.864 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.667 -6.605 0.445 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.880 -6.915 1.177 1.00 0.73 C ATOM 1821 C ALA A 122 -15.573 -7.843 2.351 1.00 0.90 C ATOM 1822 O ALA A 122 -14.671 -8.685 2.265 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.909 -7.543 0.251 1.00 0.94 C ATOM 0 H ALA A 122 -14.147 -7.423 0.127 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.294 -5.988 1.574 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.814 -7.770 0.814 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.147 -6.847 -0.554 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.504 -8.462 -0.172 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.315 -7.656 3.444 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.198 -8.471 4.657 1.00 0.97 C ATOM 1831 C LYS A 123 -14.899 -8.147 5.406 1.00 0.83 C ATOM 1832 O LYS A 123 -14.557 -6.975 5.576 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.288 -9.967 4.318 1.00 1.10 C ATOM 1834 CG LYS A 123 -16.663 -10.871 5.493 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.137 -10.753 5.870 1.00 1.97 C ATOM 1836 CE LYS A 123 -18.450 -9.462 6.613 1.00 2.89 C ATOM 1837 NZ LYS A 123 -19.891 -9.364 6.960 1.00 3.47 N ATOM 0 H LYS A 123 -17.023 -6.925 3.514 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.032 -8.228 5.316 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -17.024 -10.102 3.525 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.327 -10.293 3.920 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -16.438 -11.906 5.238 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -16.048 -10.615 6.356 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -18.744 -10.804 4.966 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -18.418 -11.603 6.492 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -17.852 -9.412 7.523 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -18.165 -8.609 5.997 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -20.067 -8.472 7.465 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -20.460 -9.387 6.090 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -20.157 -10.164 7.569 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.193 -9.176 5.870 1.00 0.82 N ATOM 1852 CA ASP A 124 -12.940 -8.993 6.600 1.00 0.81 C ATOM 1853 C ASP A 124 -12.147 -10.296 6.642 1.00 0.71 C ATOM 1854 O ASP A 124 -12.717 -11.363 6.868 1.00 0.74 O ATOM 1855 CB ASP A 124 -13.202 -8.489 8.027 1.00 1.07 C ATOM 1856 CG ASP A 124 -14.131 -9.390 8.813 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -15.364 -9.263 8.651 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -13.638 -10.218 9.604 1.00 2.08 O ATOM 0 H ASP A 124 -14.469 -10.151 5.752 1.00 0.82 H new ATOM 0 HA ASP A 124 -12.353 -8.241 6.072 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -12.253 -8.405 8.556 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -13.630 -7.488 7.980 1.00 1.07 H new ATOM 1863 N ASN A 125 -10.841 -10.191 6.354 1.00 0.70 N ATOM 1864 CA ASN A 125 -9.875 -11.308 6.447 1.00 0.73 C ATOM 1865 C ASN A 125 -10.106 -12.420 5.409 1.00 0.73 C ATOM 1866 O ASN A 125 -9.149 -12.972 4.863 1.00 0.91 O ATOM 1867 CB ASN A 125 -9.900 -11.893 7.847 1.00 0.87 C ATOM 1868 CG ASN A 125 -8.879 -12.997 8.054 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -7.775 -12.955 7.511 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -9.248 -14.000 8.833 1.00 2.40 N ATOM 0 H ASN A 125 -10.415 -9.317 6.045 1.00 0.70 H new ATOM 0 HA ASN A 125 -8.895 -10.885 6.226 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -9.716 -11.097 8.569 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -10.896 -12.286 8.052 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -8.608 -14.776 9.002 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -10.172 -13.997 9.265 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.365 -12.741 5.135 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.724 -13.793 4.179 1.00 0.76 C ATOM 1879 C LYS A 126 -11.287 -13.423 2.759 1.00 0.76 C ATOM 1880 O LYS A 126 -11.417 -14.212 1.823 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.237 -14.038 4.233 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.082 -12.881 3.713 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.513 -13.114 2.272 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.361 -11.973 1.746 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.008 -12.310 0.447 1.00 1.96 N ATOM 0 H LYS A 126 -12.168 -12.283 5.566 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.201 -14.709 4.454 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.469 -14.931 3.652 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.522 -14.245 5.264 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -14.963 -12.760 4.343 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.513 -11.954 3.779 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.630 -13.231 1.643 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -15.076 -14.045 2.207 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.128 -11.724 2.479 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.739 -11.087 1.622 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.578 -11.503 0.123 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -15.276 -12.523 -0.261 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.622 -13.140 0.570 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.775 -12.208 2.636 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.275 -11.661 1.388 1.00 0.64 C ATOM 1901 C GLN A 127 -11.393 -11.494 0.373 1.00 0.63 C ATOM 1902 O GLN A 127 -11.496 -12.243 -0.596 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.133 -12.500 0.814 1.00 0.79 C ATOM 1904 CG GLN A 127 -8.245 -11.708 -0.133 1.00 1.28 C ATOM 1905 CD GLN A 127 -7.046 -12.492 -0.636 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -6.572 -13.440 0.158 1.00 2.02 O flip ATOM 1907 NE2 GLN A 127 -6.548 -12.240 -1.731 1.00 1.62 N flip ATOM 0 H GLN A 127 -10.695 -11.561 3.421 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.871 -10.673 1.610 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.528 -12.891 1.632 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.548 -13.358 0.285 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.839 -11.380 -0.986 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.895 -10.810 0.376 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -6.943 -11.501 -2.313 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -5.740 -12.769 -2.058 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.242 -10.504 0.614 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.288 -10.188 -0.327 1.00 0.50 C ATOM 1918 C GLY A 128 -12.874 -9.067 -1.247 1.00 0.45 C ATOM 1919 O GLY A 128 -13.655 -8.167 -1.538 1.00 0.77 O ATOM 0 H GLY A 128 -12.221 -9.916 1.447 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.532 -11.073 -0.915 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.192 -9.905 0.212 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.634 -9.121 -1.695 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.046 -8.041 -2.450 1.00 0.63 C ATOM 1925 C PHE A 129 -11.438 -8.130 -3.924 1.00 0.58 C ATOM 1926 O PHE A 129 -11.754 -9.206 -4.427 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.522 -8.107 -2.307 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.846 -9.043 -3.275 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -9.025 -10.415 -3.169 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -8.033 -8.554 -4.284 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -8.406 -11.279 -4.054 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.412 -9.412 -5.170 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.600 -10.765 -5.066 1.00 1.14 C ATOM 0 H PHE A 129 -11.011 -9.914 -1.544 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.415 -7.092 -2.061 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.113 -7.106 -2.443 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.278 -8.416 -1.291 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.655 -10.813 -2.387 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -7.883 -7.489 -4.379 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -8.547 -12.346 -3.961 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.776 -9.015 -5.947 1.00 0.89 H new ATOM 0 HZ PHE A 129 -7.123 -11.432 -5.769 1.00 1.14 H new ATOM 1943 N THR A 130 -11.430 -6.996 -4.605 1.00 0.61 N ATOM 1944 CA THR A 130 -11.637 -6.964 -6.048 1.00 0.63 C ATOM 1945 C THR A 130 -10.988 -5.714 -6.644 1.00 0.60 C ATOM 1946 O THR A 130 -11.276 -4.603 -6.206 1.00 0.67 O ATOM 1947 CB THR A 130 -13.138 -6.979 -6.410 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.787 -8.108 -5.806 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.329 -7.029 -7.919 1.00 0.90 C ATOM 0 H THR A 130 -11.282 -6.080 -4.181 1.00 0.61 H new ATOM 0 HA THR A 130 -11.175 -7.859 -6.464 1.00 0.63 H new ATOM 0 HB THR A 130 -13.585 -6.061 -6.029 1.00 0.73 H new ATOM 0 HG1 THR A 130 -13.111 -8.747 -5.496 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.394 -7.039 -8.151 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.867 -6.153 -8.373 1.00 0.90 H new ATOM 0 HG23 THR A 130 -12.863 -7.931 -8.315 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.084 -5.882 -7.627 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.417 -4.758 -8.302 1.00 0.65 C ATOM 1959 C PRO A 131 -10.416 -3.788 -8.937 1.00 0.63 C ATOM 1960 O PRO A 131 -11.312 -4.197 -9.678 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.567 -5.434 -9.382 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.380 -6.833 -8.903 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.635 -7.182 -8.155 1.00 0.75 C ATOM 0 HA PRO A 131 -8.836 -4.155 -7.605 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -9.067 -5.411 -10.350 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.610 -4.928 -9.506 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -8.221 -7.514 -9.739 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.505 -6.911 -8.257 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.382 -7.631 -8.809 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.442 -7.897 -7.355 1.00 0.75 H new ATOM 1971 N SER A 132 -10.262 -2.506 -8.637 1.00 0.55 N ATOM 1972 CA SER A 132 -11.178 -1.483 -9.120 1.00 0.57 C ATOM 1973 C SER A 132 -10.481 -0.125 -9.166 1.00 0.56 C ATOM 1974 O SER A 132 -10.203 0.474 -8.126 1.00 0.73 O ATOM 1975 CB SER A 132 -12.412 -1.399 -8.215 1.00 0.64 C ATOM 1976 OG SER A 132 -13.053 -2.659 -8.102 1.00 1.52 O ATOM 0 H SER A 132 -9.504 -2.148 -8.056 1.00 0.55 H new ATOM 0 HA SER A 132 -11.495 -1.755 -10.127 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.117 -1.048 -7.226 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.112 -0.667 -8.618 1.00 0.64 H new ATOM 0 HG SER A 132 -14.011 -2.555 -8.278 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.195 0.353 -10.367 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.542 1.636 -10.509 1.00 0.57 C ATOM 1984 C GLY A 133 -8.189 1.525 -11.175 1.00 0.62 C ATOM 1985 O GLY A 133 -8.060 0.922 -12.244 1.00 1.17 O ATOM 0 H GLY A 133 -10.403 -0.124 -11.244 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.178 2.301 -11.093 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.423 2.091 -9.526 1.00 0.57 H new ATOM 1989 N THR A 134 -7.175 2.089 -10.542 1.00 0.62 N ATOM 1990 CA THR A 134 -5.840 2.116 -11.112 1.00 0.97 C ATOM 1991 C THR A 134 -4.843 1.376 -10.229 1.00 0.68 C ATOM 1992 O THR A 134 -5.047 1.237 -9.021 1.00 0.95 O ATOM 1993 CB THR A 134 -5.362 3.566 -11.314 1.00 1.77 C ATOM 1994 OG1 THR A 134 -5.730 4.360 -10.179 1.00 2.38 O ATOM 1995 CG2 THR A 134 -5.961 4.167 -12.578 1.00 2.47 C ATOM 0 H THR A 134 -7.252 2.536 -9.629 1.00 0.62 H new ATOM 0 HA THR A 134 -5.892 1.614 -12.078 1.00 0.97 H new ATOM 0 HB THR A 134 -4.277 3.558 -11.419 1.00 1.77 H new ATOM 0 HG1 THR A 134 -5.302 5.239 -10.242 1.00 2.38 H new ATOM 0 HG21 THR A 134 -5.607 5.191 -12.697 1.00 2.47 H new ATOM 0 HG22 THR A 134 -5.657 3.576 -13.442 1.00 2.47 H new ATOM 0 HG23 THR A 134 -7.048 4.165 -12.502 1.00 2.47 H new ATOM 2003 N THR A 135 -3.777 0.886 -10.841 1.00 0.72 N ATOM 2004 CA THR A 135 -2.691 0.272 -10.102 1.00 0.70 C ATOM 2005 C THR A 135 -1.465 1.189 -10.143 1.00 0.64 C ATOM 2006 O THR A 135 -0.902 1.458 -11.207 1.00 0.88 O ATOM 2007 CB THR A 135 -2.360 -1.146 -10.645 1.00 1.08 C ATOM 2008 OG1 THR A 135 -1.283 -1.734 -9.902 1.00 1.82 O ATOM 2009 CG2 THR A 135 -2.010 -1.119 -12.128 1.00 1.27 C ATOM 0 H THR A 135 -3.642 0.903 -11.852 1.00 0.72 H new ATOM 0 HA THR A 135 -3.001 0.144 -9.065 1.00 0.70 H new ATOM 0 HB THR A 135 -3.256 -1.754 -10.521 1.00 1.08 H new ATOM 0 HG1 THR A 135 -1.608 -2.527 -9.427 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.785 -2.130 -12.467 1.00 1.27 H new ATOM 0 HG22 THR A 135 -2.854 -0.725 -12.694 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.140 -0.482 -12.285 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.083 1.700 -8.984 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.003 2.662 -8.920 1.00 0.58 C ATOM 2019 C GLY A 136 1.316 2.014 -8.571 1.00 0.45 C ATOM 2020 O GLY A 136 1.419 1.296 -7.576 1.00 0.67 O ATOM 0 H GLY A 136 -1.502 1.466 -8.084 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.086 3.170 -9.880 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.240 3.423 -8.177 1.00 0.58 H new ATOM 2024 N THR A 137 2.324 2.260 -9.390 1.00 0.38 N ATOM 2025 CA THR A 137 3.635 1.686 -9.174 1.00 0.33 C ATOM 2026 C THR A 137 4.503 2.622 -8.343 1.00 0.33 C ATOM 2027 O THR A 137 5.026 3.616 -8.853 1.00 0.39 O ATOM 2028 CB THR A 137 4.345 1.390 -10.515 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.557 0.485 -11.304 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.726 0.791 -10.286 1.00 0.50 C ATOM 0 H THR A 137 2.256 2.857 -10.214 1.00 0.38 H new ATOM 0 HA THR A 137 3.494 0.749 -8.635 1.00 0.33 H new ATOM 0 HB THR A 137 4.460 2.335 -11.047 1.00 0.42 H new ATOM 0 HG1 THR A 137 4.015 0.306 -12.152 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.201 0.594 -11.247 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.337 1.492 -9.717 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.630 -0.142 -9.730 1.00 0.50 H new ATOM 2038 N THR A 138 4.634 2.328 -7.060 1.00 0.32 N ATOM 2039 CA THR A 138 5.542 3.079 -6.223 1.00 0.36 C ATOM 2040 C THR A 138 6.961 2.560 -6.433 1.00 0.37 C ATOM 2041 O THR A 138 7.299 1.439 -6.046 1.00 0.38 O ATOM 2042 CB THR A 138 5.151 2.998 -4.732 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.773 3.361 -4.574 1.00 0.40 O ATOM 2044 CG2 THR A 138 6.020 3.921 -3.889 1.00 0.52 C ATOM 0 H THR A 138 4.127 1.582 -6.583 1.00 0.32 H new ATOM 0 HA THR A 138 5.486 4.129 -6.510 1.00 0.36 H new ATOM 0 HB THR A 138 5.305 1.974 -4.393 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.527 3.307 -3.627 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.724 3.845 -2.843 1.00 0.52 H new ATOM 0 HG22 THR A 138 7.066 3.631 -3.992 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.894 4.949 -4.228 1.00 0.52 H new ATOM 2052 N LYS A 139 7.772 3.366 -7.092 1.00 0.41 N ATOM 2053 CA LYS A 139 9.138 2.993 -7.395 1.00 0.44 C ATOM 2054 C LYS A 139 10.072 3.824 -6.552 1.00 0.44 C ATOM 2055 O LYS A 139 10.218 5.032 -6.748 1.00 0.49 O ATOM 2056 CB LYS A 139 9.439 3.194 -8.881 1.00 0.53 C ATOM 2057 CG LYS A 139 10.806 2.679 -9.309 1.00 0.59 C ATOM 2058 CD LYS A 139 10.835 1.162 -9.440 1.00 1.21 C ATOM 2059 CE LYS A 139 9.870 0.676 -10.511 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.116 -0.742 -10.885 1.00 2.18 N ATOM 0 H LYS A 139 7.504 4.290 -7.430 1.00 0.41 H new ATOM 0 HA LYS A 139 9.281 1.937 -7.167 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.672 2.690 -9.468 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.373 4.257 -9.115 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.079 3.129 -10.263 1.00 0.59 H new ATOM 0 HG3 LYS A 139 11.555 2.993 -8.582 1.00 0.59 H new ATOM 0 HD2 LYS A 139 11.846 0.836 -9.685 1.00 1.21 H new ATOM 0 HD3 LYS A 139 10.577 0.708 -8.483 1.00 1.21 H new ATOM 0 HE2 LYS A 139 8.847 0.783 -10.152 1.00 1.33 H new ATOM 0 HE3 LYS A 139 9.965 1.305 -11.396 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.339 -1.082 -11.486 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 11.013 -0.813 -11.406 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.168 -1.324 -10.025 1.00 2.18 H new ATOM 2074 N LEU A 140 10.690 3.168 -5.606 1.00 0.45 N ATOM 2075 CA LEU A 140 11.521 3.838 -4.648 1.00 0.44 C ATOM 2076 C LEU A 140 12.998 3.566 -4.923 1.00 0.39 C ATOM 2077 O LEU A 140 13.509 2.469 -4.681 1.00 0.40 O ATOM 2078 CB LEU A 140 11.114 3.409 -3.234 1.00 0.46 C ATOM 2079 CG LEU A 140 12.140 3.709 -2.152 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.416 5.199 -2.070 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.677 3.186 -0.807 1.00 0.62 C ATOM 0 H LEU A 140 10.630 2.158 -5.480 1.00 0.45 H new ATOM 0 HA LEU A 140 11.378 4.915 -4.735 1.00 0.44 H new ATOM 0 HB2 LEU A 140 10.179 3.905 -2.975 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.915 2.337 -3.239 1.00 0.46 H new ATOM 0 HG LEU A 140 13.066 3.199 -2.419 1.00 0.53 H new ATOM 0 HD11 LEU A 140 13.153 5.390 -1.290 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.802 5.551 -3.027 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.492 5.728 -1.834 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.428 3.413 -0.050 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.734 3.661 -0.537 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.535 2.107 -0.865 1.00 0.62 H new ATOM 2093 N THR A 141 13.667 4.577 -5.450 1.00 0.39 N ATOM 2094 CA THR A 141 15.089 4.510 -5.727 1.00 0.38 C ATOM 2095 C THR A 141 15.856 5.203 -4.605 1.00 0.34 C ATOM 2096 O THR A 141 15.375 6.181 -4.043 1.00 0.40 O ATOM 2097 CB THR A 141 15.407 5.174 -7.080 1.00 0.48 C ATOM 2098 OG1 THR A 141 14.569 4.603 -8.095 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.869 4.985 -7.460 1.00 0.54 C ATOM 0 H THR A 141 13.237 5.468 -5.698 1.00 0.39 H new ATOM 0 HA THR A 141 15.393 3.465 -5.781 1.00 0.38 H new ATOM 0 HB THR A 141 15.216 6.244 -6.992 1.00 0.48 H new ATOM 0 HG1 THR A 141 14.767 5.024 -8.958 1.00 0.58 H new ATOM 0 HG21 THR A 141 17.061 5.465 -8.420 1.00 0.54 H new ATOM 0 HG22 THR A 141 17.504 5.434 -6.696 1.00 0.54 H new ATOM 0 HG23 THR A 141 17.090 3.920 -7.536 1.00 0.54 H new ATOM 2107 N VAL A 142 17.020 4.680 -4.255 1.00 0.44 N ATOM 2108 CA VAL A 142 17.786 5.218 -3.137 1.00 0.57 C ATOM 2109 C VAL A 142 18.460 6.543 -3.467 1.00 0.77 C ATOM 2110 O VAL A 142 19.133 6.682 -4.490 1.00 1.10 O ATOM 2111 CB VAL A 142 18.847 4.217 -2.670 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.686 4.784 -1.534 1.00 1.69 C ATOM 2113 CG2 VAL A 142 18.175 2.936 -2.245 1.00 1.74 C ATOM 0 H VAL A 142 17.456 3.887 -4.725 1.00 0.44 H new ATOM 0 HA VAL A 142 17.067 5.398 -2.337 1.00 0.57 H new ATOM 0 HB VAL A 142 19.522 4.014 -3.502 1.00 0.80 H new ATOM 0 HG11 VAL A 142 20.429 4.047 -1.227 1.00 1.69 H new ATOM 0 HG12 VAL A 142 20.191 5.689 -1.871 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.040 5.022 -0.689 1.00 1.69 H new ATOM 0 HG21 VAL A 142 18.929 2.223 -1.912 1.00 1.74 H new ATOM 0 HG22 VAL A 142 17.484 3.141 -1.427 1.00 1.74 H new ATOM 0 HG23 VAL A 142 17.625 2.517 -3.088 1.00 1.74 H new ATOM 2123 N THR A 143 18.252 7.512 -2.589 1.00 0.85 N ATOM 2124 CA THR A 143 18.928 8.794 -2.650 1.00 1.18 C ATOM 2125 C THR A 143 18.950 9.417 -1.255 1.00 1.82 C ATOM 2126 O THR A 143 20.051 9.549 -0.682 1.00 2.22 O ATOM 2127 CB THR A 143 18.255 9.755 -3.652 1.00 1.54 C ATOM 2128 OG1 THR A 143 18.280 9.179 -4.965 1.00 2.04 O ATOM 2129 CG2 THR A 143 18.960 11.103 -3.677 1.00 1.94 C ATOM 2130 OXT THR A 143 17.863 9.711 -0.719 1.00 2.58 O ATOM 0 H THR A 143 17.602 7.427 -1.807 1.00 0.85 H new ATOM 0 HA THR A 143 19.946 8.626 -3.001 1.00 1.18 H new ATOM 0 HB THR A 143 17.224 9.911 -3.334 1.00 1.54 H new ATOM 0 HG1 THR A 143 18.866 8.393 -4.966 1.00 2.04 H new ATOM 0 HG21 THR A 143 18.464 11.760 -4.392 1.00 1.94 H new ATOM 0 HG22 THR A 143 18.922 11.552 -2.685 1.00 1.94 H new ATOM 0 HG23 THR A 143 20.000 10.964 -3.973 1.00 1.94 H new TER 2138 THR A 143