USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 917 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 132 THR OG1 : rot 74:sc= 1.56 USER MOD Set 1.2: B 27 SER OG : rot 24:sc= 1.01 USER MOD Set 2.1: A 78 THR OG1 : rot 69:sc= -3.95! USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.373 K(o=-2.1,f=-11!) USER MOD Set 2.3: A 124 TYR OH : rot 139:sc= 1.51 USER MOD Single : A 52 SER OG : rot 180:sc= 0.025 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 54 MET CE :methyl 162:sc= -0.0678 (180deg=-0.526) USER MOD Single : A 56 LYS NZ :NH3+ -128:sc= -1.55! (180deg=-4.05!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 0.24 (180deg=-1.29!) USER MOD Single : A 63 ASN : amide:sc= 1.1 K(o=1.1,f=-5.5!) USER MOD Single : A 65 LYS NZ :NH3+ 128:sc= 1.23 (180deg=-0.237) USER MOD Single : A 74 CYS SG : rot 150:sc= -2.15 USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= -0.215 (180deg=-0.91) USER MOD Single : A 76 MET CE :methyl -129:sc= -1.81 (180deg=-4.59!) USER MOD Single : A 77 GLN : amide:sc= -5.34! C(o=-5.3!,f=-7!) USER MOD Single : A 89 TYR OH : rot 39:sc= 1.27 USER MOD Single : A 90 ASN : amide:sc= -0.339 K(o=-0.34,f=-4!) USER MOD Single : A 92 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.0085) USER MOD Single : A 93 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.081) USER MOD Single : A 96 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-3.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 102 SER OG : rot -99:sc= 1.31 USER MOD Single : A 106 CYS SG : rot 158:sc= 0.0988 USER MOD Single : A 107 ASN : amide:sc= 0.459 X(o=0.46,f=-0.0065) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN :FLIP amide:sc= -9.35! C(o=-12!,f=-9.4!) USER MOD Single : A 131 CYS SG : rot 137:sc= -1.76! USER MOD Single : A 135 LYS NZ :NH3+ 154:sc= -0.644 (180deg=-1.64!) USER MOD Single : A 137 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=0.0061) USER MOD Single : A 138 SER OG : rot 88:sc= -1.79! USER MOD Single : A 140 LYS NZ :NH3+ -169:sc=-0.00604 (180deg=-0.118) USER MOD Single : A 141 LYS NZ :NH3+ -177:sc= 1.03 (180deg=0.906) USER MOD Single : A 142 LYS NZ :NH3+ 171:sc= -0.0153 (180deg=-0.142) USER MOD Single : A 144 ASN : amide:sc= -1.03 K(o=-1,f=-2.6!) USER MOD Single : B 23 SER OG : rot 54:sc= 0.0414 USER MOD Single : B 24 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.26) USER MOD Single : B 29 SER OG : rot -47:sc= 0.464 USER MOD Single : B 33 GLN : amide:sc= 0.389 X(o=0.39,f=-0.025) USER MOD Single : B 34 TYR OH : rot 16:sc= 0.329 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -15.621 2.620 15.480 1.00 10.57 N ATOM 2 CA GLY A 51 -17.088 2.808 15.399 1.00 9.93 C ATOM 3 C GLY A 51 -17.755 1.672 14.659 1.00 9.27 C ATOM 4 O GLY A 51 -17.431 1.399 13.503 1.00 9.29 O ATOM 0 HA2 GLY A 51 -17.502 2.880 16.405 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -17.307 3.749 14.895 1.00 9.93 H new ATOM 10 N SER A 52 -18.676 0.996 15.327 1.00 8.95 N ATOM 11 CA SER A 52 -19.370 -0.139 14.741 1.00 8.59 C ATOM 12 C SER A 52 -20.426 0.322 13.744 1.00 7.80 C ATOM 13 O SER A 52 -20.683 -0.343 12.738 1.00 7.91 O ATOM 14 CB SER A 52 -20.006 -0.977 15.850 1.00 9.23 C ATOM 15 OG SER A 52 -20.677 -0.144 16.783 1.00 9.51 O ATOM 0 H SER A 52 -18.961 1.216 16.281 1.00 8.95 H new ATOM 0 HA SER A 52 -18.648 -0.750 14.199 1.00 8.59 H new ATOM 0 HB2 SER A 52 -20.710 -1.688 15.418 1.00 9.23 H new ATOM 0 HB3 SER A 52 -19.238 -1.558 16.360 1.00 9.23 H new ATOM 0 HG SER A 52 -21.080 -0.697 17.485 1.00 9.51 H new ATOM 21 N HIS A 53 -21.023 1.474 14.017 1.00 7.28 N ATOM 22 CA HIS A 53 -22.064 2.011 13.162 1.00 6.80 C ATOM 23 C HIS A 53 -21.460 2.914 12.091 1.00 5.91 C ATOM 24 O HIS A 53 -21.254 4.112 12.305 1.00 6.03 O ATOM 25 CB HIS A 53 -23.098 2.777 13.991 1.00 7.25 C ATOM 26 CG HIS A 53 -24.294 3.225 13.203 1.00 7.97 C ATOM 27 ND1 HIS A 53 -24.519 4.552 12.930 1.00 8.46 N ATOM 28 CD2 HIS A 53 -25.297 2.488 12.664 1.00 8.53 C ATOM 29 CE1 HIS A 53 -25.643 4.594 12.235 1.00 9.23 C ATOM 30 NE2 HIS A 53 -26.151 3.369 12.051 1.00 9.30 N ATOM 0 H HIS A 53 -20.801 2.053 14.827 1.00 7.28 H new ATOM 0 HA HIS A 53 -22.568 1.180 12.668 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -23.432 2.144 14.813 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -22.619 3.650 14.435 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -25.403 1.414 12.709 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -26.094 5.502 11.863 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -27.009 3.136 11.551 1.00 9.30 H new ATOM 38 N MET A 54 -21.151 2.318 10.953 1.00 5.30 N ATOM 39 CA MET A 54 -20.656 3.054 9.803 1.00 4.57 C ATOM 40 C MET A 54 -21.147 2.385 8.529 1.00 4.14 C ATOM 41 O MET A 54 -20.531 1.441 8.029 1.00 4.31 O ATOM 42 CB MET A 54 -19.126 3.122 9.815 1.00 4.58 C ATOM 43 CG MET A 54 -18.548 3.951 8.676 1.00 4.17 C ATOM 44 SD MET A 54 -19.097 5.671 8.714 1.00 4.68 S ATOM 45 CE MET A 54 -18.407 6.211 10.276 1.00 5.36 C ATOM 0 H MET A 54 -21.236 1.313 10.800 1.00 5.30 H new ATOM 0 HA MET A 54 -21.035 4.075 9.846 1.00 4.57 H new ATOM 0 HB2 MET A 54 -18.796 3.543 10.765 1.00 4.58 H new ATOM 0 HB3 MET A 54 -18.724 2.110 9.758 1.00 4.58 H new ATOM 0 HG2 MET A 54 -17.460 3.921 8.727 1.00 4.17 H new ATOM 0 HG3 MET A 54 -18.836 3.503 7.725 1.00 4.17 H new ATOM 0 HE1 MET A 54 -18.375 7.300 10.303 1.00 5.36 H new ATOM 0 HE2 MET A 54 -19.028 5.846 11.094 1.00 5.36 H new ATOM 0 HE3 MET A 54 -17.397 5.816 10.384 1.00 5.36 H new ATOM 55 N GLY A 55 -22.272 2.860 8.023 1.00 4.00 N ATOM 56 CA GLY A 55 -22.876 2.247 6.861 1.00 3.88 C ATOM 57 C GLY A 55 -22.568 2.995 5.585 1.00 3.32 C ATOM 58 O GLY A 55 -22.661 4.223 5.548 1.00 3.61 O ATOM 0 H GLY A 55 -22.779 3.662 8.397 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -22.522 1.220 6.771 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -23.956 2.200 6.999 1.00 3.88 H new ATOM 62 N LYS A 56 -22.223 2.238 4.542 1.00 2.94 N ATOM 63 CA LYS A 56 -21.889 2.767 3.236 1.00 2.69 C ATOM 64 C LYS A 56 -20.856 3.879 3.259 1.00 2.34 C ATOM 65 O LYS A 56 -21.159 5.044 3.518 1.00 2.48 O ATOM 66 CB LYS A 56 -23.140 3.196 2.520 1.00 2.93 C ATOM 67 CG LYS A 56 -23.779 2.047 1.782 1.00 3.20 C ATOM 68 CD LYS A 56 -24.958 2.483 0.915 1.00 3.88 C ATOM 69 CE LYS A 56 -24.557 3.459 -0.186 1.00 4.35 C ATOM 70 NZ LYS A 56 -24.414 4.858 0.309 1.00 4.58 N ATOM 0 H LYS A 56 -22.170 1.221 4.592 1.00 2.94 H new ATOM 0 HA LYS A 56 -21.413 1.954 2.687 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -23.849 3.606 3.239 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -22.902 3.994 1.816 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -23.031 1.564 1.154 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -24.119 1.303 2.502 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -25.416 1.603 0.464 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -25.715 2.947 1.547 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -23.614 3.136 -0.627 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -25.305 3.433 -0.979 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -24.978 5.497 -0.287 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -24.750 4.915 1.292 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -23.414 5.140 0.268 1.00 4.58 H new ATOM 84 N LYS A 57 -19.636 3.499 2.946 1.00 2.10 N ATOM 85 CA LYS A 57 -18.521 4.427 2.941 1.00 1.85 C ATOM 86 C LYS A 57 -17.665 4.222 1.703 1.00 1.54 C ATOM 87 O LYS A 57 -17.142 3.134 1.477 1.00 1.68 O ATOM 88 CB LYS A 57 -17.690 4.266 4.210 1.00 1.99 C ATOM 89 CG LYS A 57 -17.374 5.578 4.904 1.00 1.98 C ATOM 90 CD LYS A 57 -18.632 6.385 5.161 1.00 2.02 C ATOM 91 CE LYS A 57 -18.341 7.632 5.978 1.00 2.40 C ATOM 92 NZ LYS A 57 -19.556 8.466 6.157 1.00 3.04 N ATOM 0 H LYS A 57 -19.388 2.544 2.689 1.00 2.10 H new ATOM 0 HA LYS A 57 -18.913 5.444 2.917 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -18.225 3.618 4.904 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -16.756 3.763 3.960 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -16.868 5.379 5.849 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -16.686 6.159 4.290 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -19.083 6.670 4.210 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -19.360 5.767 5.687 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -17.950 7.345 6.954 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -17.566 8.218 5.484 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.319 9.308 6.719 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -19.915 8.761 5.226 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -20.286 7.914 6.651 1.00 3.04 H new ATOM 106 N CYS A 58 -17.519 5.268 0.910 1.00 1.34 N ATOM 107 CA CYS A 58 -16.812 5.162 -0.352 1.00 1.07 C ATOM 108 C CYS A 58 -15.674 6.171 -0.422 1.00 0.85 C ATOM 109 O CYS A 58 -15.903 7.381 -0.438 1.00 1.07 O ATOM 110 CB CYS A 58 -17.786 5.384 -1.503 1.00 1.26 C ATOM 111 SG CYS A 58 -17.110 4.987 -3.136 1.00 1.99 S ATOM 0 H CYS A 58 -17.880 6.199 1.118 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.382 4.163 -0.430 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.676 4.777 -1.333 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -18.105 6.426 -1.498 1.00 1.26 H new ATOM 0 HG CYS A 58 -18.013 5.206 -4.045 1.00 1.99 H new ATOM 117 N TYR A 59 -14.448 5.668 -0.446 1.00 0.57 N ATOM 118 CA TYR A 59 -13.269 6.518 -0.531 1.00 0.44 C ATOM 119 C TYR A 59 -12.412 6.145 -1.725 1.00 0.41 C ATOM 120 O TYR A 59 -11.200 6.342 -1.709 1.00 0.42 O ATOM 121 CB TYR A 59 -12.451 6.447 0.761 1.00 0.66 C ATOM 122 CG TYR A 59 -13.098 7.192 1.889 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.193 6.655 2.520 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.628 8.428 2.306 1.00 1.06 C ATOM 125 CE1 TYR A 59 -14.823 7.322 3.547 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.246 9.108 3.337 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.346 8.549 3.955 1.00 1.34 C ATOM 128 OH TYR A 59 -14.973 9.224 4.974 1.00 1.64 O ATOM 0 H TYR A 59 -14.243 4.669 -0.408 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.609 7.545 -0.666 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.319 5.404 1.047 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.457 6.857 0.581 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.567 5.692 2.205 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -11.768 8.864 1.819 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -15.685 6.886 4.030 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -12.872 10.069 3.657 1.00 1.30 H new ATOM 0 HH TYR A 59 -14.510 10.072 5.138 1.00 1.64 H new ATOM 138 N LYS A 60 -13.045 5.614 -2.765 1.00 0.42 N ATOM 139 CA LYS A 60 -12.328 5.278 -3.990 1.00 0.43 C ATOM 140 C LYS A 60 -11.615 6.511 -4.524 1.00 0.40 C ATOM 141 O LYS A 60 -10.411 6.488 -4.766 1.00 0.41 O ATOM 142 CB LYS A 60 -13.293 4.732 -5.045 1.00 0.52 C ATOM 143 CG LYS A 60 -12.604 4.302 -6.332 1.00 1.16 C ATOM 144 CD LYS A 60 -13.585 3.713 -7.333 1.00 1.35 C ATOM 145 CE LYS A 60 -12.876 3.268 -8.605 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.323 4.418 -9.374 1.00 2.29 N ATOM 0 H LYS A 60 -14.044 5.408 -2.786 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.592 4.507 -3.764 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.831 3.881 -4.628 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.035 5.496 -5.277 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.102 5.160 -6.779 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.834 3.566 -6.103 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.100 2.863 -6.884 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.346 4.453 -7.578 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -12.068 2.583 -8.348 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.574 2.715 -9.233 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -11.437 4.132 -9.838 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.011 4.717 -10.095 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.134 5.210 -8.727 1.00 2.29 H new ATOM 160 N LEU A 61 -12.375 7.594 -4.658 1.00 0.45 N ATOM 161 CA LEU A 61 -11.855 8.873 -5.129 1.00 0.49 C ATOM 162 C LEU A 61 -10.591 9.273 -4.378 1.00 0.38 C ATOM 163 O LEU A 61 -9.619 9.737 -4.975 1.00 0.41 O ATOM 164 CB LEU A 61 -12.912 9.976 -4.972 1.00 0.62 C ATOM 165 CG LEU A 61 -13.448 10.196 -3.547 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.997 11.603 -3.400 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.531 9.182 -3.206 1.00 0.81 C ATOM 0 H LEU A 61 -13.372 7.609 -4.442 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.608 8.754 -6.184 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.486 10.914 -5.328 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.754 9.741 -5.624 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.618 10.061 -2.854 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.372 11.743 -2.386 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -13.205 12.325 -3.596 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.809 11.753 -4.112 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.891 9.361 -2.193 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.358 9.283 -3.909 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.120 8.175 -3.272 1.00 0.81 H new ATOM 179 N GLU A 62 -10.620 9.087 -3.070 1.00 0.33 N ATOM 180 CA GLU A 62 -9.501 9.421 -2.218 1.00 0.30 C ATOM 181 C GLU A 62 -8.347 8.463 -2.382 1.00 0.26 C ATOM 182 O GLU A 62 -7.249 8.869 -2.739 1.00 0.32 O ATOM 183 CB GLU A 62 -9.966 9.411 -0.792 1.00 0.41 C ATOM 184 CG GLU A 62 -10.765 10.635 -0.466 1.00 0.50 C ATOM 185 CD GLU A 62 -9.994 11.927 -0.674 1.00 1.29 C ATOM 186 OE1 GLU A 62 -9.796 12.318 -1.843 1.00 2.00 O ATOM 187 OE2 GLU A 62 -9.575 12.552 0.326 1.00 1.51 O ATOM 0 H GLU A 62 -11.422 8.700 -2.572 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.140 10.409 -2.504 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.570 8.522 -0.612 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.104 9.350 -0.128 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -11.662 10.651 -1.085 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.095 10.580 0.571 1.00 0.50 H new ATOM 194 N ASN A 63 -8.630 7.188 -2.193 1.00 0.24 N ATOM 195 CA ASN A 63 -7.592 6.171 -2.069 1.00 0.23 C ATOM 196 C ASN A 63 -6.797 6.007 -3.357 1.00 0.21 C ATOM 197 O ASN A 63 -5.629 5.624 -3.321 1.00 0.22 O ATOM 198 CB ASN A 63 -8.205 4.835 -1.652 1.00 0.33 C ATOM 199 CG ASN A 63 -8.852 4.896 -0.279 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.408 5.634 0.596 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.912 4.125 -0.085 1.00 0.90 N ATOM 0 H ASN A 63 -9.580 6.825 -2.121 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.899 6.505 -1.297 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.950 4.535 -2.389 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.431 4.068 -1.652 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.389 4.131 0.816 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.251 3.525 -0.837 1.00 0.90 H new ATOM 208 N GLU A 64 -7.424 6.299 -4.490 1.00 0.23 N ATOM 209 CA GLU A 64 -6.734 6.250 -5.762 1.00 0.29 C ATOM 210 C GLU A 64 -5.641 7.309 -5.821 1.00 0.29 C ATOM 211 O GLU A 64 -4.484 6.997 -6.085 1.00 0.35 O ATOM 212 CB GLU A 64 -7.720 6.461 -6.908 1.00 0.38 C ATOM 213 CG GLU A 64 -8.819 5.422 -6.967 1.00 0.41 C ATOM 214 CD GLU A 64 -9.693 5.572 -8.193 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.706 6.303 -8.122 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.379 4.960 -9.231 1.00 0.88 O ATOM 0 H GLU A 64 -8.405 6.571 -4.549 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.275 5.267 -5.863 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.171 7.448 -6.810 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.174 6.453 -7.851 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.374 4.427 -6.961 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.437 5.500 -6.072 1.00 0.41 H new ATOM 223 N LYS A 65 -6.013 8.555 -5.539 1.00 0.27 N ATOM 224 CA LYS A 65 -5.073 9.673 -5.600 1.00 0.30 C ATOM 225 C LYS A 65 -4.141 9.624 -4.401 1.00 0.23 C ATOM 226 O LYS A 65 -2.987 10.040 -4.457 1.00 0.30 O ATOM 227 CB LYS A 65 -5.830 10.990 -5.607 1.00 0.39 C ATOM 228 CG LYS A 65 -6.989 11.012 -6.574 1.00 0.65 C ATOM 229 CD LYS A 65 -7.788 12.299 -6.457 1.00 1.23 C ATOM 230 CE LYS A 65 -8.926 12.357 -7.466 1.00 2.14 C ATOM 231 NZ LYS A 65 -9.894 11.243 -7.284 1.00 2.98 N ATOM 0 H LYS A 65 -6.960 8.817 -5.266 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.488 9.595 -6.516 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.201 11.192 -4.602 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.140 11.795 -5.860 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.616 10.905 -7.593 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.640 10.159 -6.382 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.193 12.384 -5.449 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.126 13.152 -6.608 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -9.448 13.309 -7.369 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -8.517 12.319 -8.476 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -10.858 11.628 -7.216 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -9.836 10.597 -8.097 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -9.666 10.724 -6.412 1.00 2.98 H new ATOM 245 N LEU A 66 -4.686 9.119 -3.317 1.00 0.16 N ATOM 246 CA LEU A 66 -3.964 8.934 -2.077 1.00 0.15 C ATOM 247 C LEU A 66 -2.765 8.020 -2.256 1.00 0.15 C ATOM 248 O LEU A 66 -1.649 8.354 -1.862 1.00 0.18 O ATOM 249 CB LEU A 66 -4.916 8.333 -1.067 1.00 0.15 C ATOM 250 CG LEU A 66 -5.123 9.169 0.166 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.389 8.739 0.890 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.897 9.041 1.039 1.00 0.22 C ATOM 0 H LEU A 66 -5.660 8.820 -3.271 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.589 9.899 -1.737 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.881 8.171 -1.547 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.540 7.354 -0.769 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.255 10.218 -0.100 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.525 9.353 1.780 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.246 8.863 0.229 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.304 7.692 1.181 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.027 9.641 1.940 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.755 7.996 1.316 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.022 9.393 0.492 1.00 0.22 H new ATOM 264 N PHE A 67 -3.019 6.855 -2.827 1.00 0.14 N ATOM 265 CA PHE A 67 -1.980 5.879 -3.102 1.00 0.15 C ATOM 266 C PHE A 67 -0.848 6.501 -3.926 1.00 0.17 C ATOM 267 O PHE A 67 0.330 6.227 -3.692 1.00 0.20 O ATOM 268 CB PHE A 67 -2.587 4.691 -3.844 1.00 0.15 C ATOM 269 CG PHE A 67 -1.901 3.405 -3.540 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.775 3.018 -4.234 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.390 2.592 -2.543 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.144 1.826 -3.934 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.772 1.404 -2.236 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.645 1.016 -2.932 1.00 0.19 C ATOM 0 H PHE A 67 -3.952 6.559 -3.113 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.556 5.539 -2.157 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.641 4.605 -3.581 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.540 4.877 -4.917 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.383 3.650 -5.017 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.271 2.892 -1.995 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.738 1.528 -4.481 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.167 0.775 -1.452 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.156 0.083 -2.695 1.00 0.19 H new ATOM 284 N GLU A 68 -1.228 7.349 -4.876 1.00 0.18 N ATOM 285 CA GLU A 68 -0.271 8.078 -5.713 1.00 0.23 C ATOM 286 C GLU A 68 0.678 8.872 -4.852 1.00 0.19 C ATOM 287 O GLU A 68 1.887 8.831 -5.042 1.00 0.24 O ATOM 288 CB GLU A 68 -0.990 9.067 -6.616 1.00 0.40 C ATOM 289 CG GLU A 68 -2.224 8.516 -7.237 1.00 0.54 C ATOM 290 CD GLU A 68 -1.973 7.746 -8.519 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.091 6.867 -8.535 1.00 1.81 O ATOM 292 OE2 GLU A 68 -2.652 8.035 -9.531 1.00 1.39 O ATOM 0 H GLU A 68 -2.204 7.553 -5.090 1.00 0.18 H new ATOM 0 HA GLU A 68 0.268 7.340 -6.308 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -1.249 9.953 -6.037 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.309 9.389 -7.404 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.718 7.859 -6.521 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -2.912 9.336 -7.445 1.00 0.54 H new ATOM 299 N GLU A 69 0.106 9.595 -3.901 1.00 0.19 N ATOM 300 CA GLU A 69 0.886 10.458 -3.019 1.00 0.22 C ATOM 301 C GLU A 69 2.016 9.691 -2.335 1.00 0.20 C ATOM 302 O GLU A 69 3.114 10.217 -2.150 1.00 0.28 O ATOM 303 CB GLU A 69 -0.040 11.072 -1.981 1.00 0.26 C ATOM 304 CG GLU A 69 -1.120 11.935 -2.596 1.00 0.34 C ATOM 305 CD GLU A 69 -0.640 13.337 -2.895 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.023 13.547 -3.962 1.00 1.31 O ATOM 307 OE2 GLU A 69 -0.870 14.239 -2.068 1.00 1.78 O ATOM 0 H GLU A 69 -0.897 9.603 -3.718 1.00 0.19 H new ATOM 0 HA GLU A 69 1.346 11.244 -3.619 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.505 10.276 -1.399 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.547 11.673 -1.287 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.471 11.470 -3.517 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.972 11.983 -1.918 1.00 0.34 H new ATOM 314 N PHE A 70 1.744 8.447 -1.974 1.00 0.15 N ATOM 315 CA PHE A 70 2.756 7.584 -1.383 1.00 0.13 C ATOM 316 C PHE A 70 3.773 7.174 -2.442 1.00 0.13 C ATOM 317 O PHE A 70 4.977 7.210 -2.209 1.00 0.14 O ATOM 318 CB PHE A 70 2.086 6.352 -0.777 1.00 0.12 C ATOM 319 CG PHE A 70 2.994 5.517 0.081 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.115 4.930 -0.458 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.699 5.293 1.410 1.00 0.11 C ATOM 322 CE1 PHE A 70 4.936 4.131 0.305 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.517 4.500 2.189 1.00 0.11 C ATOM 324 CZ PHE A 70 4.637 3.913 1.634 1.00 0.11 C ATOM 0 H PHE A 70 0.828 8.011 -2.080 1.00 0.15 H new ATOM 0 HA PHE A 70 3.279 8.125 -0.594 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.233 6.673 -0.179 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.694 5.732 -1.583 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.355 5.099 -1.497 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.819 5.743 1.845 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.811 3.676 -0.135 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.282 4.339 3.231 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.276 3.286 2.238 1.00 0.11 H new ATOM 334 N LEU A 71 3.278 6.805 -3.605 1.00 0.14 N ATOM 335 CA LEU A 71 4.109 6.303 -4.683 1.00 0.15 C ATOM 336 C LEU A 71 5.022 7.360 -5.258 1.00 0.16 C ATOM 337 O LEU A 71 6.201 7.113 -5.506 1.00 0.18 O ATOM 338 CB LEU A 71 3.205 5.769 -5.759 1.00 0.17 C ATOM 339 CG LEU A 71 2.549 4.462 -5.380 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.663 4.005 -6.498 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.621 3.437 -5.069 1.00 0.16 C ATOM 0 H LEU A 71 2.284 6.844 -3.832 1.00 0.14 H new ATOM 0 HA LEU A 71 4.754 5.521 -4.283 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.433 6.507 -5.978 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.781 5.629 -6.674 1.00 0.17 H new ATOM 0 HG LEU A 71 1.932 4.593 -4.491 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.190 3.062 -6.225 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.895 4.756 -6.684 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.259 3.864 -7.400 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.152 2.492 -4.795 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.249 3.289 -5.948 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.234 3.792 -4.240 1.00 0.16 H new ATOM 353 N GLU A 72 4.469 8.525 -5.483 1.00 0.16 N ATOM 354 CA GLU A 72 5.224 9.635 -6.012 1.00 0.19 C ATOM 355 C GLU A 72 6.296 10.049 -5.016 1.00 0.18 C ATOM 356 O GLU A 72 7.381 10.492 -5.392 1.00 0.21 O ATOM 357 CB GLU A 72 4.270 10.766 -6.349 1.00 0.24 C ATOM 358 CG GLU A 72 3.217 10.323 -7.350 1.00 0.29 C ATOM 359 CD GLU A 72 3.771 10.189 -8.752 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.329 11.177 -9.275 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.648 9.096 -9.342 1.00 1.17 O ATOM 0 H GLU A 72 3.486 8.732 -5.306 1.00 0.16 H new ATOM 0 HA GLU A 72 5.737 9.350 -6.930 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.784 11.117 -5.439 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.830 11.607 -6.756 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.800 9.367 -7.035 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.398 11.042 -7.353 1.00 0.29 H new ATOM 368 N LEU A 73 5.985 9.871 -3.741 1.00 0.16 N ATOM 369 CA LEU A 73 6.964 10.011 -2.689 1.00 0.16 C ATOM 370 C LEU A 73 7.980 8.880 -2.775 1.00 0.15 C ATOM 371 O LEU A 73 9.182 9.102 -2.656 1.00 0.18 O ATOM 372 CB LEU A 73 6.262 9.968 -1.339 1.00 0.16 C ATOM 373 CG LEU A 73 7.173 9.687 -0.153 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.560 10.974 0.550 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.498 8.714 0.794 1.00 0.16 C ATOM 0 H LEU A 73 5.050 9.627 -3.414 1.00 0.16 H new ATOM 0 HA LEU A 73 7.482 10.964 -2.801 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.761 10.922 -1.176 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.487 9.202 -1.373 1.00 0.16 H new ATOM 0 HG LEU A 73 8.094 9.230 -0.514 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.211 10.746 1.394 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.085 11.626 -0.148 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.662 11.476 0.910 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.155 8.516 1.641 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.563 9.144 1.152 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.291 7.781 0.270 1.00 0.16 H new ATOM 387 N CYS A 74 7.482 7.665 -2.999 1.00 0.13 N ATOM 388 CA CYS A 74 8.320 6.487 -3.077 1.00 0.13 C ATOM 389 C CYS A 74 9.393 6.673 -4.153 1.00 0.15 C ATOM 390 O CYS A 74 10.546 6.311 -3.948 1.00 0.18 O ATOM 391 CB CYS A 74 7.445 5.266 -3.371 1.00 0.16 C ATOM 392 SG CYS A 74 8.170 3.687 -2.898 1.00 0.50 S ATOM 0 H CYS A 74 6.488 7.478 -3.130 1.00 0.13 H new ATOM 0 HA CYS A 74 8.829 6.331 -2.126 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.494 5.384 -2.851 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.224 5.243 -4.438 1.00 0.16 H new ATOM 0 HG CYS A 74 7.225 2.853 -2.580 1.00 0.50 H new ATOM 398 N LYS A 75 9.009 7.288 -5.273 1.00 0.18 N ATOM 399 CA LYS A 75 9.943 7.605 -6.355 1.00 0.22 C ATOM 400 C LYS A 75 11.123 8.456 -5.886 1.00 0.22 C ATOM 401 O LYS A 75 12.177 8.463 -6.518 1.00 0.26 O ATOM 402 CB LYS A 75 9.230 8.324 -7.489 1.00 0.28 C ATOM 403 CG LYS A 75 8.806 7.377 -8.584 1.00 0.57 C ATOM 404 CD LYS A 75 7.500 6.685 -8.263 1.00 0.61 C ATOM 405 CE LYS A 75 6.317 7.340 -8.960 1.00 0.38 C ATOM 406 NZ LYS A 75 6.467 7.320 -10.439 1.00 0.96 N ATOM 0 H LYS A 75 8.048 7.579 -5.455 1.00 0.18 H new ATOM 0 HA LYS A 75 10.336 6.651 -6.707 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.353 8.839 -7.096 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.888 9.087 -7.905 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.704 7.927 -9.519 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.584 6.629 -8.737 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.562 5.639 -8.562 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.338 6.700 -7.185 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.399 6.823 -8.681 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.219 8.370 -8.619 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.528 7.264 -10.882 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.946 8.189 -10.751 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 7.032 6.493 -10.719 1.00 0.96 H new ATOM 420 N MET A 76 10.945 9.176 -4.787 1.00 0.22 N ATOM 421 CA MET A 76 11.969 10.088 -4.300 1.00 0.26 C ATOM 422 C MET A 76 12.822 9.396 -3.257 1.00 0.25 C ATOM 423 O MET A 76 13.968 9.771 -3.006 1.00 0.32 O ATOM 424 CB MET A 76 11.334 11.327 -3.665 1.00 0.29 C ATOM 425 CG MET A 76 10.185 11.919 -4.452 1.00 0.27 C ATOM 426 SD MET A 76 9.602 13.487 -3.771 1.00 0.32 S ATOM 427 CE MET A 76 9.164 12.992 -2.106 1.00 0.35 C ATOM 0 H MET A 76 10.100 9.146 -4.216 1.00 0.22 H new ATOM 0 HA MET A 76 12.582 10.390 -5.149 1.00 0.26 H new ATOM 0 HB2 MET A 76 10.978 11.066 -2.668 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.103 12.090 -3.540 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.499 12.071 -5.485 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.359 11.207 -4.471 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.152 13.329 -1.881 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.212 11.906 -2.025 1.00 0.35 H new ATOM 0 HE3 MET A 76 9.861 13.440 -1.398 1.00 0.35 H new ATOM 437 N GLN A 77 12.233 8.388 -2.647 1.00 0.21 N ATOM 438 CA GLN A 77 12.856 7.691 -1.539 1.00 0.22 C ATOM 439 C GLN A 77 13.591 6.452 -2.026 1.00 0.21 C ATOM 440 O GLN A 77 14.804 6.329 -1.865 1.00 0.24 O ATOM 441 CB GLN A 77 11.785 7.270 -0.539 1.00 0.23 C ATOM 442 CG GLN A 77 10.786 8.356 -0.170 1.00 0.30 C ATOM 443 CD GLN A 77 11.358 9.447 0.704 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.539 9.779 0.626 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.513 10.007 1.554 1.00 0.48 N ATOM 0 H GLN A 77 11.313 8.030 -2.903 1.00 0.21 H new ATOM 0 HA GLN A 77 13.572 8.364 -1.066 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.240 6.420 -0.950 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.275 6.924 0.371 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.398 8.804 -1.085 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.941 7.898 0.344 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.541 9.699 1.584 1.00 0.48 H new ATOM 0 HE22 GLN A 77 10.834 10.746 2.179 1.00 0.48 H new ATOM 454 N THR A 78 12.850 5.548 -2.647 1.00 0.18 N ATOM 455 CA THR A 78 13.413 4.315 -3.150 1.00 0.20 C ATOM 456 C THR A 78 13.878 4.515 -4.590 1.00 0.22 C ATOM 457 O THR A 78 13.689 3.670 -5.462 1.00 0.24 O ATOM 458 CB THR A 78 12.393 3.166 -3.050 1.00 0.20 C ATOM 459 OG1 THR A 78 13.007 1.925 -3.393 1.00 0.56 O ATOM 460 CG2 THR A 78 11.216 3.419 -3.961 1.00 0.42 C ATOM 0 H THR A 78 11.849 5.651 -2.813 1.00 0.18 H new ATOM 0 HA THR A 78 14.273 4.041 -2.539 1.00 0.20 H new ATOM 0 HB THR A 78 12.038 3.116 -2.021 1.00 0.20 H new ATOM 0 HG1 THR A 78 13.649 1.674 -2.696 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.507 2.596 -3.876 1.00 0.42 H new ATOM 0 HG22 THR A 78 10.727 4.350 -3.674 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.563 3.494 -4.992 1.00 0.42 H new ATOM 468 N ALA A 79 14.512 5.651 -4.816 1.00 0.25 N ATOM 469 CA ALA A 79 14.935 6.059 -6.143 1.00 0.30 C ATOM 470 C ALA A 79 15.961 5.089 -6.737 1.00 0.34 C ATOM 471 O ALA A 79 16.105 4.992 -7.958 1.00 0.42 O ATOM 472 CB ALA A 79 15.496 7.463 -6.067 1.00 0.32 C ATOM 0 H ALA A 79 14.749 6.319 -4.082 1.00 0.25 H new ATOM 0 HA ALA A 79 14.071 6.044 -6.808 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.817 7.781 -7.059 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.727 8.143 -5.700 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.348 7.478 -5.387 1.00 0.32 H new ATOM 478 N ASP A 80 16.668 4.372 -5.871 1.00 0.35 N ATOM 479 CA ASP A 80 17.646 3.377 -6.310 1.00 0.44 C ATOM 480 C ASP A 80 17.023 1.980 -6.353 1.00 0.38 C ATOM 481 O ASP A 80 17.669 1.010 -6.750 1.00 0.44 O ATOM 482 CB ASP A 80 18.874 3.381 -5.391 1.00 0.59 C ATOM 483 CG ASP A 80 18.566 2.890 -3.991 1.00 1.31 C ATOM 484 OD1 ASP A 80 17.598 3.393 -3.377 1.00 2.29 O ATOM 485 OD2 ASP A 80 19.297 2.012 -3.492 1.00 1.68 O ATOM 0 H ASP A 80 16.584 4.460 -4.858 1.00 0.35 H new ATOM 0 HA ASP A 80 17.964 3.643 -7.318 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.650 2.753 -5.828 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.276 4.393 -5.335 1.00 0.59 H new ATOM 490 N HIS A 81 15.760 1.888 -5.949 1.00 0.35 N ATOM 491 CA HIS A 81 15.004 0.639 -6.019 1.00 0.39 C ATOM 492 C HIS A 81 13.631 0.915 -6.638 1.00 0.34 C ATOM 493 O HIS A 81 12.612 0.842 -5.947 1.00 0.30 O ATOM 494 CB HIS A 81 14.778 0.025 -4.629 1.00 0.49 C ATOM 495 CG HIS A 81 15.959 0.019 -3.711 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.026 0.809 -2.587 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.081 -0.730 -3.708 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.140 0.546 -1.933 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.798 -0.386 -2.591 1.00 1.12 N ATOM 0 H HIS A 81 15.232 2.672 -5.565 1.00 0.35 H new ATOM 0 HA HIS A 81 15.583 -0.060 -6.622 1.00 0.39 H new ATOM 0 HB2 HIS A 81 13.968 0.568 -4.142 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.440 -1.003 -4.759 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.362 -1.464 -4.448 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.459 1.015 -1.014 1.00 2.11 H new ATOM 0 HE2 HIS A 81 18.695 -0.786 -2.315 1.00 1.12 H new ATOM 508 N PRO A 82 13.576 1.231 -7.941 1.00 0.39 N ATOM 509 CA PRO A 82 12.341 1.670 -8.607 1.00 0.39 C ATOM 510 C PRO A 82 11.304 0.559 -8.810 1.00 0.35 C ATOM 511 O PRO A 82 10.360 0.724 -9.578 1.00 0.39 O ATOM 512 CB PRO A 82 12.845 2.170 -9.957 1.00 0.50 C ATOM 513 CG PRO A 82 14.073 1.382 -10.215 1.00 0.53 C ATOM 514 CD PRO A 82 14.715 1.194 -8.877 1.00 0.48 C ATOM 0 HA PRO A 82 11.814 2.411 -8.006 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.102 2.014 -10.740 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.059 3.238 -9.929 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.835 0.423 -10.674 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.739 1.906 -10.900 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.252 0.247 -8.819 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.436 1.983 -8.663 1.00 0.48 H new ATOM 522 N GLU A 83 11.472 -0.563 -8.118 1.00 0.29 N ATOM 523 CA GLU A 83 10.544 -1.685 -8.243 1.00 0.26 C ATOM 524 C GLU A 83 9.396 -1.574 -7.244 1.00 0.19 C ATOM 525 O GLU A 83 8.322 -2.137 -7.455 1.00 0.22 O ATOM 526 CB GLU A 83 11.268 -3.011 -8.060 1.00 0.33 C ATOM 527 CG GLU A 83 12.280 -3.281 -9.154 1.00 0.49 C ATOM 528 CD GLU A 83 11.691 -3.110 -10.540 1.00 1.32 C ATOM 529 OE1 GLU A 83 10.983 -4.023 -11.005 1.00 1.72 O ATOM 530 OE2 GLU A 83 11.928 -2.059 -11.169 1.00 2.05 O ATOM 0 H GLU A 83 12.240 -0.721 -7.466 1.00 0.29 H new ATOM 0 HA GLU A 83 10.125 -1.649 -9.249 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.774 -3.014 -7.094 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.537 -3.819 -8.039 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.127 -2.606 -9.036 1.00 0.49 H new ATOM 0 HG3 GLU A 83 12.664 -4.296 -9.048 1.00 0.49 H new ATOM 537 N VAL A 84 9.637 -0.847 -6.159 1.00 0.15 N ATOM 538 CA VAL A 84 8.653 -0.679 -5.092 1.00 0.11 C ATOM 539 C VAL A 84 7.324 -0.138 -5.613 1.00 0.11 C ATOM 540 O VAL A 84 6.264 -0.716 -5.386 1.00 0.13 O ATOM 541 CB VAL A 84 9.154 0.322 -4.050 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.213 0.338 -2.877 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.571 0.013 -3.610 1.00 0.14 C ATOM 0 H VAL A 84 10.517 -0.358 -5.993 1.00 0.15 H new ATOM 0 HA VAL A 84 8.509 -1.669 -4.660 1.00 0.11 H new ATOM 0 HB VAL A 84 9.175 1.313 -4.504 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.570 1.051 -2.134 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.218 0.631 -3.213 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.168 -0.656 -2.433 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.890 0.747 -2.870 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.607 -0.984 -3.171 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.237 0.054 -4.472 1.00 0.14 H new ATOM 553 N VAL A 85 7.410 0.999 -6.285 1.00 0.11 N ATOM 554 CA VAL A 85 6.239 1.698 -6.816 1.00 0.13 C ATOM 555 C VAL A 85 5.398 0.802 -7.735 1.00 0.15 C ATOM 556 O VAL A 85 4.202 0.637 -7.498 1.00 0.16 O ATOM 557 CB VAL A 85 6.660 2.979 -7.561 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.449 3.822 -7.916 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.642 3.767 -6.711 1.00 0.15 C ATOM 0 H VAL A 85 8.294 1.469 -6.481 1.00 0.11 H new ATOM 0 HA VAL A 85 5.617 1.970 -5.964 1.00 0.13 H new ATOM 0 HB VAL A 85 7.150 2.699 -8.494 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.773 4.721 -8.441 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.781 3.247 -8.558 1.00 0.18 H new ATOM 0 HG13 VAL A 85 4.922 4.104 -7.004 1.00 0.18 H new ATOM 0 HG21 VAL A 85 7.937 4.672 -7.241 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.170 4.037 -5.766 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.524 3.157 -6.515 1.00 0.15 H new ATOM 569 N PRO A 86 5.993 0.215 -8.797 1.00 0.17 N ATOM 570 CA PRO A 86 5.284 -0.733 -9.662 1.00 0.20 C ATOM 571 C PRO A 86 4.680 -1.889 -8.871 1.00 0.18 C ATOM 572 O PRO A 86 3.585 -2.351 -9.182 1.00 0.20 O ATOM 573 CB PRO A 86 6.367 -1.244 -10.613 1.00 0.23 C ATOM 574 CG PRO A 86 7.383 -0.160 -10.636 1.00 0.22 C ATOM 575 CD PRO A 86 7.374 0.438 -9.260 1.00 0.17 C ATOM 0 HA PRO A 86 4.445 -0.263 -10.175 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.795 -2.182 -10.260 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.965 -1.432 -11.608 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.369 -0.553 -10.885 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.139 0.589 -11.389 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.100 -0.047 -8.607 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.624 1.499 -9.282 1.00 0.17 H new ATOM 583 N PHE A 87 5.393 -2.337 -7.839 1.00 0.16 N ATOM 584 CA PHE A 87 4.901 -3.397 -6.964 1.00 0.15 C ATOM 585 C PHE A 87 3.617 -2.942 -6.264 1.00 0.14 C ATOM 586 O PHE A 87 2.586 -3.614 -6.345 1.00 0.16 O ATOM 587 CB PHE A 87 5.974 -3.771 -5.927 1.00 0.17 C ATOM 588 CG PHE A 87 5.684 -5.011 -5.122 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.464 -5.663 -5.217 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.643 -5.524 -4.266 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.206 -6.798 -4.478 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.390 -6.658 -3.523 1.00 0.25 C ATOM 593 CZ PHE A 87 5.170 -7.296 -3.628 1.00 0.38 C ATOM 0 H PHE A 87 6.315 -1.981 -7.589 1.00 0.16 H new ATOM 0 HA PHE A 87 4.679 -4.279 -7.565 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.924 -3.907 -6.444 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.101 -2.933 -5.241 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.704 -5.276 -5.880 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.600 -5.031 -4.179 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.251 -7.295 -4.565 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.147 -7.047 -2.858 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.971 -8.183 -3.045 1.00 0.38 H new ATOM 603 N LEU A 88 3.680 -1.794 -5.593 1.00 0.12 N ATOM 604 CA LEU A 88 2.520 -1.256 -4.892 1.00 0.13 C ATOM 605 C LEU A 88 1.360 -1.023 -5.851 1.00 0.14 C ATOM 606 O LEU A 88 0.200 -1.267 -5.509 1.00 0.16 O ATOM 607 CB LEU A 88 2.869 0.049 -4.175 1.00 0.13 C ATOM 608 CG LEU A 88 3.904 -0.072 -3.062 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.907 1.194 -2.214 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.621 -1.303 -2.212 1.00 0.20 C ATOM 0 H LEU A 88 4.521 -1.221 -5.521 1.00 0.12 H new ATOM 0 HA LEU A 88 2.217 -1.994 -4.149 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.236 0.762 -4.913 1.00 0.13 H new ATOM 0 HB3 LEU A 88 1.955 0.468 -3.754 1.00 0.13 H new ATOM 0 HG LEU A 88 4.894 -0.189 -3.503 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.649 1.099 -1.421 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.153 2.051 -2.841 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.921 1.339 -1.772 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.367 -1.378 -1.421 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.629 -1.219 -1.768 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.664 -2.195 -2.837 1.00 0.20 H new ATOM 622 N TYR A 89 1.681 -0.565 -7.054 1.00 0.16 N ATOM 623 CA TYR A 89 0.669 -0.365 -8.086 1.00 0.20 C ATOM 624 C TYR A 89 0.002 -1.687 -8.413 1.00 0.21 C ATOM 625 O TYR A 89 -1.224 -1.809 -8.408 1.00 0.25 O ATOM 626 CB TYR A 89 1.287 0.194 -9.372 1.00 0.22 C ATOM 627 CG TYR A 89 1.134 1.681 -9.545 1.00 0.26 C ATOM 628 CD1 TYR A 89 -0.116 2.247 -9.752 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.238 2.518 -9.505 1.00 0.28 C ATOM 630 CE1 TYR A 89 -0.262 3.608 -9.915 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.103 3.880 -9.668 1.00 0.37 C ATOM 632 CZ TYR A 89 0.849 4.422 -9.874 1.00 0.43 C ATOM 633 OH TYR A 89 0.703 5.780 -10.031 1.00 0.54 O ATOM 0 H TYR A 89 2.630 -0.325 -7.340 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.059 0.349 -7.701 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.349 -0.053 -9.387 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.831 -0.307 -10.226 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.988 1.611 -9.786 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.219 2.097 -9.344 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -1.242 4.034 -10.074 1.00 0.42 H new ATOM 0 HE2 TYR A 89 2.972 4.520 -9.635 1.00 0.37 H new ATOM 0 HH TYR A 89 -0.106 6.078 -9.564 1.00 0.54 H new ATOM 643 N ASN A 90 0.845 -2.673 -8.668 1.00 0.19 N ATOM 644 CA ASN A 90 0.415 -3.998 -9.073 1.00 0.23 C ATOM 645 C ASN A 90 -0.480 -4.628 -8.026 1.00 0.22 C ATOM 646 O ASN A 90 -1.583 -5.082 -8.326 1.00 0.27 O ATOM 647 CB ASN A 90 1.638 -4.875 -9.298 1.00 0.27 C ATOM 648 CG ASN A 90 1.273 -6.220 -9.858 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.059 -7.176 -9.115 1.00 1.33 O ATOM 650 ND2 ASN A 90 1.196 -6.313 -11.162 1.00 0.67 N ATOM 0 H ASN A 90 1.858 -2.574 -8.599 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.157 -3.909 -9.997 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.323 -4.372 -9.980 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.167 -5.007 -8.354 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.951 -7.203 -11.596 1.00 0.67 H new ATOM 0 HD22 ASN A 90 1.381 -5.496 -11.743 1.00 0.67 H new ATOM 657 N ARG A 91 -0.008 -4.631 -6.796 1.00 0.19 N ATOM 658 CA ARG A 91 -0.726 -5.259 -5.702 1.00 0.20 C ATOM 659 C ARG A 91 -2.097 -4.613 -5.495 1.00 0.20 C ATOM 660 O ARG A 91 -3.053 -5.292 -5.127 1.00 0.22 O ATOM 661 CB ARG A 91 0.118 -5.204 -4.429 1.00 0.22 C ATOM 662 CG ARG A 91 -0.535 -5.852 -3.221 1.00 0.26 C ATOM 663 CD ARG A 91 -1.018 -7.265 -3.510 1.00 0.36 C ATOM 664 NE ARG A 91 0.041 -8.131 -4.031 1.00 0.80 N ATOM 665 CZ ARG A 91 0.906 -8.806 -3.267 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.902 -8.645 -1.947 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.789 -9.628 -3.822 1.00 1.25 N ATOM 0 H ARG A 91 0.877 -4.202 -6.526 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.903 -6.305 -5.954 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.073 -5.694 -4.618 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.335 -4.162 -4.195 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.177 -5.876 -2.396 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.378 -5.242 -2.897 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.420 -7.701 -2.595 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.835 -7.225 -4.230 1.00 0.36 H new ATOM 0 HE ARG A 91 0.124 -8.226 -5.043 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.237 -8.004 -1.513 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.564 -9.162 -1.368 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.809 -9.746 -4.835 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.447 -10.141 -3.235 1.00 1.25 H new ATOM 681 N GLN A 92 -2.201 -3.312 -5.753 1.00 0.19 N ATOM 682 CA GLN A 92 -3.488 -2.632 -5.659 1.00 0.21 C ATOM 683 C GLN A 92 -4.410 -3.095 -6.781 1.00 0.24 C ATOM 684 O GLN A 92 -5.615 -3.227 -6.591 1.00 0.26 O ATOM 685 CB GLN A 92 -3.333 -1.111 -5.702 1.00 0.23 C ATOM 686 CG GLN A 92 -4.673 -0.385 -5.726 1.00 0.34 C ATOM 687 CD GLN A 92 -4.541 1.121 -5.719 1.00 0.45 C ATOM 688 OE1 GLN A 92 -4.409 1.750 -6.766 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.622 1.713 -4.541 1.00 0.78 N ATOM 0 H GLN A 92 -1.420 -2.715 -6.025 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.928 -2.893 -4.696 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.762 -0.783 -4.833 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.758 -0.833 -6.585 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.227 -0.689 -6.614 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -5.261 -0.695 -4.862 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -4.731 1.153 -3.695 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.575 2.730 -4.477 1.00 0.78 H new ATOM 698 N GLN A 93 -3.831 -3.357 -7.944 1.00 0.26 N ATOM 699 CA GLN A 93 -4.604 -3.814 -9.092 1.00 0.32 C ATOM 700 C GLN A 93 -5.199 -5.187 -8.801 1.00 0.34 C ATOM 701 O GLN A 93 -6.304 -5.506 -9.240 1.00 0.40 O ATOM 702 CB GLN A 93 -3.740 -3.893 -10.357 1.00 0.36 C ATOM 703 CG GLN A 93 -3.007 -2.610 -10.711 1.00 0.38 C ATOM 704 CD GLN A 93 -3.922 -1.421 -10.802 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.471 -1.114 -11.858 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.082 -0.741 -9.689 1.00 0.57 N ATOM 0 H GLN A 93 -2.831 -3.261 -8.118 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.401 -3.091 -9.266 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.007 -4.690 -10.230 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.375 -4.175 -11.197 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.241 -2.416 -9.960 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.494 -2.741 -11.664 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.604 -1.036 -8.838 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.684 0.082 -9.676 1.00 0.57 H new ATOM 715 N ARG A 94 -4.456 -5.992 -8.044 1.00 0.33 N ATOM 716 CA ARG A 94 -4.902 -7.326 -7.685 1.00 0.38 C ATOM 717 C ARG A 94 -5.695 -7.311 -6.388 1.00 0.32 C ATOM 718 O ARG A 94 -6.223 -8.338 -5.959 1.00 0.46 O ATOM 719 CB ARG A 94 -3.720 -8.289 -7.582 1.00 0.47 C ATOM 720 CG ARG A 94 -3.196 -8.717 -8.939 1.00 0.70 C ATOM 721 CD ARG A 94 -2.082 -7.825 -9.443 1.00 0.95 C ATOM 722 NE ARG A 94 -1.732 -8.151 -10.825 1.00 1.67 N ATOM 723 CZ ARG A 94 -0.818 -9.058 -11.174 1.00 2.40 C ATOM 724 NH1 ARG A 94 -0.089 -9.665 -10.246 1.00 2.73 N ATOM 725 NH2 ARG A 94 -0.625 -9.344 -12.455 1.00 3.24 N ATOM 0 H ARG A 94 -3.542 -5.738 -7.670 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.561 -7.678 -8.479 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.916 -7.813 -7.020 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -4.023 -9.172 -7.019 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.834 -9.743 -8.877 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -4.015 -8.711 -9.659 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -2.390 -6.781 -9.379 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.205 -7.938 -8.806 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.218 -7.653 -11.570 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -0.226 -9.439 -9.261 1.00 2.73 H new ATOM 0 HH12 ARG A 94 0.609 -10.358 -10.518 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -1.175 -8.871 -13.172 1.00 3.24 H new ATOM 0 HH22 ARG A 94 0.074 -10.037 -12.723 1.00 3.24 H new ATOM 739 N ALA A 95 -5.762 -6.148 -5.760 1.00 0.28 N ATOM 740 CA ALA A 95 -6.601 -5.955 -4.595 1.00 0.25 C ATOM 741 C ALA A 95 -8.030 -5.668 -5.037 1.00 0.26 C ATOM 742 O ALA A 95 -8.257 -4.891 -5.964 1.00 0.36 O ATOM 743 CB ALA A 95 -6.052 -4.819 -3.747 1.00 0.25 C ATOM 0 H ALA A 95 -5.240 -5.319 -6.043 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.603 -6.861 -3.989 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.687 -4.678 -2.872 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.039 -5.062 -3.425 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.036 -3.901 -4.335 1.00 0.25 H new ATOM 749 N HIS A 96 -8.982 -6.324 -4.390 1.00 0.29 N ATOM 750 CA HIS A 96 -10.391 -6.174 -4.727 1.00 0.29 C ATOM 751 C HIS A 96 -10.849 -4.729 -4.538 1.00 0.27 C ATOM 752 O HIS A 96 -10.477 -4.059 -3.572 1.00 0.29 O ATOM 753 CB HIS A 96 -11.245 -7.111 -3.875 1.00 0.33 C ATOM 754 CG HIS A 96 -12.641 -7.266 -4.383 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.651 -6.434 -3.977 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.131 -8.160 -5.273 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.730 -6.836 -4.626 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.464 -7.878 -5.424 1.00 0.50 N ATOM 0 H HIS A 96 -8.802 -6.971 -3.622 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.516 -6.438 -5.777 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.769 -8.091 -3.837 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.278 -6.733 -2.853 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.578 -8.944 -5.769 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.704 -6.381 -4.525 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.125 -8.367 -6.027 1.00 0.50 H new ATOM 766 N SER A 97 -11.682 -4.286 -5.471 1.00 0.32 N ATOM 767 CA SER A 97 -12.084 -2.889 -5.594 1.00 0.37 C ATOM 768 C SER A 97 -12.781 -2.347 -4.343 1.00 0.33 C ATOM 769 O SER A 97 -12.722 -1.148 -4.074 1.00 0.39 O ATOM 770 CB SER A 97 -13.028 -2.755 -6.786 1.00 0.48 C ATOM 771 OG SER A 97 -12.729 -3.725 -7.779 1.00 1.46 O ATOM 0 H SER A 97 -12.103 -4.894 -6.173 1.00 0.32 H new ATOM 0 HA SER A 97 -11.176 -2.302 -5.731 1.00 0.37 H new ATOM 0 HB2 SER A 97 -14.059 -2.874 -6.454 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.944 -1.755 -7.211 1.00 0.48 H new ATOM 0 HG SER A 97 -13.347 -3.622 -8.533 1.00 1.46 H new ATOM 777 N LEU A 98 -13.431 -3.222 -3.580 1.00 0.29 N ATOM 778 CA LEU A 98 -14.278 -2.783 -2.479 1.00 0.32 C ATOM 779 C LEU A 98 -13.477 -2.157 -1.347 1.00 0.35 C ATOM 780 O LEU A 98 -13.792 -1.058 -0.897 1.00 0.43 O ATOM 781 CB LEU A 98 -15.116 -3.947 -1.958 1.00 0.35 C ATOM 782 CG LEU A 98 -16.326 -4.294 -2.821 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.137 -5.407 -2.178 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.188 -3.058 -3.041 1.00 0.67 C ATOM 0 H LEU A 98 -13.387 -4.233 -3.704 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.940 -2.010 -2.869 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.480 -4.828 -1.876 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.460 -3.708 -0.952 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.974 -4.646 -3.790 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.996 -5.641 -2.807 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.514 -6.295 -2.069 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.484 -5.084 -1.196 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.048 -3.319 -3.658 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.533 -2.679 -2.079 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.601 -2.290 -3.544 1.00 0.67 H new ATOM 796 N PHE A 99 -12.444 -2.849 -0.895 1.00 0.32 N ATOM 797 CA PHE A 99 -11.615 -2.337 0.189 1.00 0.34 C ATOM 798 C PHE A 99 -10.872 -1.080 -0.245 1.00 0.34 C ATOM 799 O PHE A 99 -10.697 -0.148 0.536 1.00 0.39 O ATOM 800 CB PHE A 99 -10.630 -3.400 0.668 1.00 0.36 C ATOM 801 CG PHE A 99 -9.626 -2.889 1.664 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.029 -2.470 2.921 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.282 -2.821 1.336 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.109 -1.994 3.833 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.360 -2.345 2.245 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.773 -1.932 3.496 1.00 0.58 C ATOM 0 H PHE A 99 -12.159 -3.759 -1.257 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.271 -2.078 1.020 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.187 -4.223 1.116 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.100 -3.806 -0.194 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.074 -2.516 3.190 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.953 -3.144 0.359 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.435 -1.670 4.810 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.315 -2.295 1.978 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.052 -1.561 4.209 1.00 0.58 H new ATOM 816 N LEU A 100 -10.445 -1.052 -1.495 1.00 0.31 N ATOM 817 CA LEU A 100 -9.761 0.111 -2.039 1.00 0.36 C ATOM 818 C LEU A 100 -10.689 1.322 -2.074 1.00 0.45 C ATOM 819 O LEU A 100 -10.242 2.463 -2.144 1.00 0.79 O ATOM 820 CB LEU A 100 -9.275 -0.200 -3.444 1.00 0.37 C ATOM 821 CG LEU A 100 -8.518 -1.517 -3.579 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.086 -1.721 -5.016 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.321 -1.550 -2.643 1.00 0.70 C ATOM 0 H LEU A 100 -10.559 -1.822 -2.154 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.912 0.347 -1.397 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.134 -0.220 -4.115 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.628 0.611 -3.778 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.183 -2.333 -3.297 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.546 -2.664 -5.103 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.965 -1.745 -5.660 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.436 -0.901 -5.320 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.796 -2.499 -2.757 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.645 -0.730 -2.887 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.662 -1.445 -1.613 1.00 0.70 H new ATOM 835 N ALA A 101 -11.982 1.061 -2.037 1.00 0.28 N ATOM 836 CA ALA A 101 -12.981 2.119 -2.035 1.00 0.33 C ATOM 837 C ALA A 101 -13.658 2.256 -0.668 1.00 0.36 C ATOM 838 O ALA A 101 -14.861 2.488 -0.587 1.00 0.57 O ATOM 839 CB ALA A 101 -14.019 1.844 -3.112 1.00 0.36 C ATOM 0 H ALA A 101 -12.370 0.118 -2.008 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.476 3.062 -2.246 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.766 2.638 -3.108 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.532 1.809 -4.086 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.504 0.888 -2.914 1.00 0.36 H new ATOM 845 N SER A 102 -12.881 2.157 0.404 1.00 0.34 N ATOM 846 CA SER A 102 -13.441 2.169 1.748 1.00 0.36 C ATOM 847 C SER A 102 -12.745 3.210 2.608 1.00 0.36 C ATOM 848 O SER A 102 -11.673 3.709 2.253 1.00 0.46 O ATOM 849 CB SER A 102 -13.307 0.792 2.402 1.00 0.40 C ATOM 850 OG SER A 102 -11.951 0.498 2.705 1.00 1.39 O ATOM 0 H SER A 102 -11.866 2.068 0.368 1.00 0.34 H new ATOM 0 HA SER A 102 -14.498 2.422 1.668 1.00 0.36 H new ATOM 0 HB2 SER A 102 -13.902 0.761 3.315 1.00 0.40 H new ATOM 0 HB3 SER A 102 -13.707 0.029 1.735 1.00 0.40 H new ATOM 0 HG SER A 102 -11.578 -0.080 2.007 1.00 1.39 H new ATOM 856 N ALA A 103 -13.355 3.529 3.742 1.00 0.35 N ATOM 857 CA ALA A 103 -12.765 4.460 4.689 1.00 0.36 C ATOM 858 C ALA A 103 -11.592 3.812 5.390 1.00 0.29 C ATOM 859 O ALA A 103 -10.636 4.479 5.782 1.00 0.30 O ATOM 860 CB ALA A 103 -13.793 4.899 5.712 1.00 0.44 C ATOM 0 H ALA A 103 -14.260 3.155 4.027 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.418 5.336 4.142 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.334 5.596 6.413 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.624 5.389 5.205 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.161 4.028 6.255 1.00 0.44 H new ATOM 866 N GLU A 104 -11.679 2.501 5.542 1.00 0.29 N ATOM 867 CA GLU A 104 -10.641 1.744 6.205 1.00 0.30 C ATOM 868 C GLU A 104 -9.312 1.927 5.483 1.00 0.26 C ATOM 869 O GLU A 104 -8.314 2.308 6.093 1.00 0.30 O ATOM 870 CB GLU A 104 -11.023 0.265 6.265 1.00 0.39 C ATOM 871 CG GLU A 104 -10.003 -0.593 6.990 1.00 0.49 C ATOM 872 CD GLU A 104 -10.530 -1.972 7.323 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.519 -2.061 8.085 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.959 -2.973 6.842 1.00 1.81 O ATOM 0 H GLU A 104 -12.464 1.940 5.212 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.532 2.114 7.225 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.988 0.167 6.762 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.147 -0.112 5.250 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.110 -0.689 6.372 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.701 -0.092 7.910 1.00 0.49 H new ATOM 881 N PHE A 105 -9.321 1.704 4.172 1.00 0.22 N ATOM 882 CA PHE A 105 -8.117 1.850 3.364 1.00 0.20 C ATOM 883 C PHE A 105 -7.644 3.302 3.368 1.00 0.19 C ATOM 884 O PHE A 105 -6.451 3.576 3.239 1.00 0.16 O ATOM 885 CB PHE A 105 -8.374 1.368 1.932 1.00 0.21 C ATOM 886 CG PHE A 105 -7.123 1.254 1.107 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.013 0.604 1.613 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.054 1.799 -0.165 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.856 0.498 0.874 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.896 1.694 -0.916 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.795 1.045 -0.393 1.00 0.16 C ATOM 0 H PHE A 105 -10.149 1.422 3.648 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.330 1.233 3.798 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.867 0.397 1.967 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.062 2.058 1.442 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.054 0.173 2.602 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.912 2.311 -0.575 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.997 -0.012 1.284 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.854 2.118 -1.908 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.888 0.965 -0.974 1.00 0.16 H new ATOM 901 N CYS A 106 -8.584 4.227 3.547 1.00 0.27 N ATOM 902 CA CYS A 106 -8.251 5.644 3.623 1.00 0.27 C ATOM 903 C CYS A 106 -7.413 5.923 4.867 1.00 0.27 C ATOM 904 O CYS A 106 -6.456 6.692 4.816 1.00 0.28 O ATOM 905 CB CYS A 106 -9.518 6.502 3.632 1.00 0.29 C ATOM 906 SG CYS A 106 -9.206 8.283 3.654 1.00 0.59 S ATOM 0 H CYS A 106 -9.578 4.020 3.642 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.669 5.906 2.740 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.114 6.260 2.752 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.116 6.238 4.504 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.252 8.912 3.207 1.00 0.59 H new ATOM 912 N ASN A 107 -7.783 5.294 5.984 1.00 0.28 N ATOM 913 CA ASN A 107 -6.987 5.373 7.212 1.00 0.30 C ATOM 914 C ASN A 107 -5.590 4.854 6.953 1.00 0.24 C ATOM 915 O ASN A 107 -4.604 5.517 7.261 1.00 0.23 O ATOM 916 CB ASN A 107 -7.605 4.550 8.342 1.00 0.37 C ATOM 917 CG ASN A 107 -8.829 5.202 8.965 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.718 5.982 9.909 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.004 4.881 8.450 1.00 0.64 N ATOM 0 H ASN A 107 -8.626 4.726 6.065 1.00 0.28 H new ATOM 0 HA ASN A 107 -6.960 6.420 7.514 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.882 3.569 7.957 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.855 4.389 9.116 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.857 5.284 8.836 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.057 4.230 7.667 1.00 0.64 H new ATOM 926 N ILE A 108 -5.525 3.661 6.375 1.00 0.21 N ATOM 927 CA ILE A 108 -4.259 3.024 6.046 1.00 0.17 C ATOM 928 C ILE A 108 -3.377 3.960 5.232 1.00 0.12 C ATOM 929 O ILE A 108 -2.247 4.254 5.619 1.00 0.12 O ATOM 930 CB ILE A 108 -4.504 1.717 5.255 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.669 0.529 6.202 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.408 1.446 4.235 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.025 0.476 6.854 1.00 0.39 C ATOM 0 H ILE A 108 -6.346 3.111 6.122 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.748 2.787 6.979 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.433 1.850 4.700 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.503 -0.395 5.648 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.903 0.580 6.975 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.625 0.518 3.706 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.363 2.269 3.522 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.449 1.356 4.746 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.078 -0.390 7.514 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.185 1.385 7.434 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.795 0.395 6.087 1.00 0.39 H new ATOM 945 N LEU A 109 -3.921 4.449 4.129 1.00 0.12 N ATOM 946 CA LEU A 109 -3.196 5.332 3.231 1.00 0.12 C ATOM 947 C LEU A 109 -2.783 6.621 3.912 1.00 0.13 C ATOM 948 O LEU A 109 -1.608 6.982 3.904 1.00 0.13 O ATOM 949 CB LEU A 109 -4.045 5.628 2.010 1.00 0.15 C ATOM 950 CG LEU A 109 -3.920 4.585 0.917 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.015 4.751 -0.103 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.566 4.705 0.258 1.00 0.17 C ATOM 0 H LEU A 109 -4.875 4.245 3.832 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.282 4.822 2.926 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.089 5.701 2.313 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.761 6.600 1.607 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.018 3.594 1.360 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.907 3.993 -0.879 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.984 4.638 0.382 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.947 5.742 -0.552 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.476 3.955 -0.528 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.459 5.699 -0.175 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.784 4.547 1.001 1.00 0.17 H new ATOM 964 N SER A 110 -3.747 7.296 4.513 1.00 0.16 N ATOM 965 CA SER A 110 -3.490 8.556 5.195 1.00 0.20 C ATOM 966 C SER A 110 -2.408 8.377 6.253 1.00 0.19 C ATOM 967 O SER A 110 -1.552 9.236 6.434 1.00 0.22 O ATOM 968 CB SER A 110 -4.777 9.083 5.840 1.00 0.28 C ATOM 969 OG SER A 110 -4.627 10.422 6.282 1.00 1.18 O ATOM 0 H SER A 110 -4.720 6.992 4.543 1.00 0.16 H new ATOM 0 HA SER A 110 -3.142 9.282 4.460 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.595 9.025 5.122 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.048 8.449 6.684 1.00 0.28 H new ATOM 0 HG SER A 110 -5.465 10.729 6.687 1.00 1.18 H new ATOM 975 N ARG A 111 -2.440 7.243 6.935 1.00 0.18 N ATOM 976 CA ARG A 111 -1.504 6.966 8.003 1.00 0.19 C ATOM 977 C ARG A 111 -0.113 6.581 7.489 1.00 0.16 C ATOM 978 O ARG A 111 0.867 7.253 7.819 1.00 0.17 O ATOM 979 CB ARG A 111 -2.072 5.904 8.928 1.00 0.25 C ATOM 980 CG ARG A 111 -3.158 6.455 9.829 1.00 0.33 C ATOM 981 CD ARG A 111 -2.794 7.832 10.348 1.00 1.22 C ATOM 982 NE ARG A 111 -3.887 8.445 11.100 1.00 1.97 N ATOM 983 CZ ARG A 111 -3.873 9.697 11.552 1.00 2.79 C ATOM 984 NH1 ARG A 111 -2.817 10.474 11.347 1.00 3.10 N ATOM 985 NH2 ARG A 111 -4.918 10.175 12.216 1.00 3.73 N ATOM 0 H ARG A 111 -3.112 6.496 6.762 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.367 7.888 8.567 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.476 5.084 8.334 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.270 5.490 9.539 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -4.098 6.507 9.280 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.316 5.777 10.668 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -1.914 7.757 10.986 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -2.526 8.475 9.510 1.00 1.22 H new ATOM 0 HE ARG A 111 -4.713 7.878 11.291 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -2.009 10.113 10.840 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -2.813 11.432 11.696 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -5.732 9.583 12.380 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -4.907 11.134 12.562 1.00 3.73 H new ATOM 999 N VAL A 112 -0.017 5.528 6.672 1.00 0.15 N ATOM 1000 CA VAL A 112 1.295 5.028 6.245 1.00 0.14 C ATOM 1001 C VAL A 112 2.002 6.015 5.327 1.00 0.14 C ATOM 1002 O VAL A 112 3.210 6.220 5.449 1.00 0.15 O ATOM 1003 CB VAL A 112 1.240 3.650 5.548 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.694 2.580 6.479 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.439 3.717 4.265 1.00 0.15 C ATOM 0 H VAL A 112 -0.814 5.013 6.299 1.00 0.15 H new ATOM 0 HA VAL A 112 1.859 4.910 7.170 1.00 0.14 H new ATOM 0 HB VAL A 112 2.262 3.372 5.289 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.668 1.623 5.958 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.336 2.499 7.356 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.315 2.850 6.792 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.418 2.733 3.797 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.580 4.034 4.488 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.901 4.432 3.585 1.00 0.15 H new ATOM 1015 N LEU A 113 1.258 6.637 4.417 1.00 0.15 N ATOM 1016 CA LEU A 113 1.830 7.596 3.508 1.00 0.16 C ATOM 1017 C LEU A 113 2.376 8.793 4.278 1.00 0.17 C ATOM 1018 O LEU A 113 3.499 9.234 4.040 1.00 0.20 O ATOM 1019 CB LEU A 113 0.764 8.011 2.495 1.00 0.16 C ATOM 1020 CG LEU A 113 0.752 9.482 2.124 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.951 9.822 1.254 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.547 9.835 1.424 1.00 0.27 C ATOM 0 H LEU A 113 0.256 6.486 4.298 1.00 0.15 H new ATOM 0 HA LEU A 113 2.667 7.152 2.970 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.905 7.426 1.586 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.215 7.747 2.895 1.00 0.16 H new ATOM 0 HG LEU A 113 0.821 10.075 3.036 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.926 10.881 0.998 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.869 9.602 1.798 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.919 9.227 0.341 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.544 10.893 1.163 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.646 9.238 0.518 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.386 9.628 2.088 1.00 0.27 H new ATOM 1034 N SER A 114 1.589 9.291 5.220 1.00 0.17 N ATOM 1035 CA SER A 114 1.989 10.435 6.025 1.00 0.21 C ATOM 1036 C SER A 114 3.190 10.082 6.900 1.00 0.18 C ATOM 1037 O SER A 114 4.070 10.913 7.135 1.00 0.20 O ATOM 1038 CB SER A 114 0.805 10.907 6.867 1.00 0.26 C ATOM 1039 OG SER A 114 1.177 11.920 7.782 1.00 1.06 O ATOM 0 H SER A 114 0.667 8.919 5.446 1.00 0.17 H new ATOM 0 HA SER A 114 2.292 11.250 5.368 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.020 11.282 6.211 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.388 10.061 7.413 1.00 0.26 H new ATOM 0 HG SER A 114 0.393 12.196 8.301 1.00 1.06 H new ATOM 1045 N ARG A 115 3.231 8.841 7.369 1.00 0.15 N ATOM 1046 CA ARG A 115 4.379 8.350 8.106 1.00 0.16 C ATOM 1047 C ARG A 115 5.630 8.386 7.234 1.00 0.15 C ATOM 1048 O ARG A 115 6.670 8.881 7.656 1.00 0.18 O ATOM 1049 CB ARG A 115 4.126 6.930 8.607 1.00 0.20 C ATOM 1050 CG ARG A 115 3.248 6.864 9.841 1.00 0.31 C ATOM 1051 CD ARG A 115 3.880 7.613 10.997 1.00 0.53 C ATOM 1052 NE ARG A 115 3.393 7.147 12.294 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.846 7.595 13.466 1.00 1.21 C ATOM 1054 NH1 ARG A 115 4.774 8.544 13.506 1.00 1.63 N ATOM 1055 NH2 ARG A 115 3.377 7.083 14.595 1.00 1.62 N ATOM 0 H ARG A 115 2.481 8.160 7.250 1.00 0.15 H new ATOM 0 HA ARG A 115 4.536 9.000 8.967 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.660 6.351 7.810 1.00 0.20 H new ATOM 0 HB3 ARG A 115 5.083 6.457 8.827 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.269 7.289 9.619 1.00 0.31 H new ATOM 0 HG3 ARG A 115 3.087 5.823 10.122 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.963 7.495 10.955 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.671 8.678 10.894 1.00 0.53 H new ATOM 0 HE ARG A 115 2.662 6.436 12.304 1.00 0.89 H new ATOM 0 HH11 ARG A 115 5.143 8.933 12.638 1.00 1.63 H new ATOM 0 HH12 ARG A 115 5.118 8.884 14.404 1.00 1.63 H new ATOM 0 HH21 ARG A 115 2.671 6.348 14.567 1.00 1.62 H new ATOM 0 HH22 ARG A 115 3.722 7.424 15.492 1.00 1.62 H new ATOM 1069 N ALA A 116 5.509 7.888 6.011 1.00 0.15 N ATOM 1070 CA ALA A 116 6.636 7.829 5.085 1.00 0.18 C ATOM 1071 C ALA A 116 7.025 9.216 4.572 1.00 0.21 C ATOM 1072 O ALA A 116 8.162 9.436 4.155 1.00 0.25 O ATOM 1073 CB ALA A 116 6.310 6.905 3.934 1.00 0.20 C ATOM 0 H ALA A 116 4.637 7.517 5.634 1.00 0.15 H new ATOM 0 HA ALA A 116 7.496 7.435 5.627 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.156 6.866 3.248 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.107 5.905 4.317 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.431 7.277 3.407 1.00 0.20 H new ATOM 1079 N ARG A 117 6.064 10.135 4.579 1.00 0.23 N ATOM 1080 CA ARG A 117 6.330 11.540 4.264 1.00 0.28 C ATOM 1081 C ARG A 117 7.388 12.101 5.201 1.00 0.29 C ATOM 1082 O ARG A 117 8.342 12.755 4.778 1.00 0.39 O ATOM 1083 CB ARG A 117 5.054 12.375 4.414 1.00 0.38 C ATOM 1084 CG ARG A 117 4.046 12.202 3.295 1.00 1.06 C ATOM 1085 CD ARG A 117 4.535 12.839 2.007 1.00 1.15 C ATOM 1086 NE ARG A 117 3.488 12.899 0.990 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.716 13.111 -0.306 1.00 2.25 C ATOM 1088 NH1 ARG A 117 4.953 13.337 -0.740 1.00 2.33 N ATOM 1089 NH2 ARG A 117 2.703 13.124 -1.162 1.00 2.99 N ATOM 0 H ARG A 117 5.089 9.933 4.800 1.00 0.23 H new ATOM 0 HA ARG A 117 6.683 11.591 3.234 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.576 12.115 5.358 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.330 13.428 4.476 1.00 0.38 H new ATOM 0 HG2 ARG A 117 3.861 11.140 3.131 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.096 12.650 3.586 1.00 1.06 H new ATOM 0 HD2 ARG A 117 4.895 13.846 2.216 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.382 12.271 1.621 1.00 1.15 H new ATOM 0 HE ARG A 117 2.522 12.771 1.291 1.00 1.75 H new ATOM 0 HH11 ARG A 117 5.731 13.348 -0.080 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.124 13.499 -1.733 1.00 2.33 H new ATOM 0 HH21 ARG A 117 1.751 12.972 -0.828 1.00 2.99 H new ATOM 0 HH22 ARG A 117 2.876 13.286 -2.154 1.00 2.99 H new ATOM 1103 N SER A 118 7.200 11.836 6.482 1.00 0.28 N ATOM 1104 CA SER A 118 8.087 12.350 7.508 1.00 0.33 C ATOM 1105 C SER A 118 9.284 11.435 7.693 1.00 0.32 C ATOM 1106 O SER A 118 10.415 11.887 7.859 1.00 0.41 O ATOM 1107 CB SER A 118 7.326 12.459 8.820 1.00 0.38 C ATOM 1108 OG SER A 118 7.851 13.479 9.654 1.00 0.62 O ATOM 0 H SER A 118 6.434 11.263 6.837 1.00 0.28 H new ATOM 0 HA SER A 118 8.446 13.332 7.200 1.00 0.33 H new ATOM 0 HB2 SER A 118 6.275 12.664 8.614 1.00 0.38 H new ATOM 0 HB3 SER A 118 7.368 11.504 9.344 1.00 0.38 H new ATOM 0 HG SER A 118 7.335 13.519 10.486 1.00 0.62 H new ATOM 1114 N ARG A 119 9.013 10.146 7.679 1.00 0.26 N ATOM 1115 CA ARG A 119 10.034 9.143 7.914 1.00 0.28 C ATOM 1116 C ARG A 119 10.285 8.280 6.677 1.00 0.26 C ATOM 1117 O ARG A 119 9.759 7.172 6.568 1.00 0.25 O ATOM 1118 CB ARG A 119 9.667 8.239 9.092 1.00 0.33 C ATOM 1119 CG ARG A 119 9.531 8.972 10.412 1.00 0.47 C ATOM 1120 CD ARG A 119 8.255 9.767 10.449 1.00 1.28 C ATOM 1121 NE ARG A 119 7.989 10.383 11.748 1.00 1.54 N ATOM 1122 CZ ARG A 119 6.810 10.905 12.084 1.00 2.39 C ATOM 1123 NH1 ARG A 119 5.766 10.761 11.273 1.00 3.26 N ATOM 1124 NH2 ARG A 119 6.666 11.543 13.235 1.00 2.60 N ATOM 0 H ARG A 119 8.083 9.764 7.505 1.00 0.26 H new ATOM 0 HA ARG A 119 10.949 9.687 8.150 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.727 7.734 8.870 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.428 7.466 9.194 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.544 8.256 11.234 1.00 0.47 H new ATOM 0 HG3 ARG A 119 10.383 9.636 10.554 1.00 0.47 H new ATOM 0 HD2 ARG A 119 8.300 10.547 9.688 1.00 1.28 H new ATOM 0 HD3 ARG A 119 7.422 9.114 10.188 1.00 1.28 H new ATOM 0 HE ARG A 119 8.745 10.415 12.432 1.00 1.54 H new ATOM 0 HH11 ARG A 119 5.868 10.252 10.395 1.00 3.26 H new ATOM 0 HH12 ARG A 119 4.863 11.160 11.529 1.00 3.26 H new ATOM 0 HH21 ARG A 119 7.460 11.637 13.869 1.00 2.60 H new ATOM 0 HH22 ARG A 119 5.762 11.941 13.488 1.00 2.60 H new ATOM 1138 N PRO A 120 11.098 8.777 5.733 1.00 0.29 N ATOM 1139 CA PRO A 120 11.572 7.994 4.584 1.00 0.30 C ATOM 1140 C PRO A 120 12.348 6.770 5.044 1.00 0.27 C ATOM 1141 O PRO A 120 12.379 5.734 4.376 1.00 0.28 O ATOM 1142 CB PRO A 120 12.513 8.959 3.858 1.00 0.37 C ATOM 1143 CG PRO A 120 12.847 10.003 4.859 1.00 0.38 C ATOM 1144 CD PRO A 120 11.621 10.144 5.702 1.00 0.35 C ATOM 0 HA PRO A 120 10.755 7.629 3.962 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.410 8.447 3.509 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.032 9.393 2.981 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.707 9.710 5.461 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.102 10.946 4.375 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.856 10.511 6.701 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.907 10.842 5.265 1.00 0.35 H new ATOM 1152 N ALA A 121 12.950 6.918 6.217 1.00 0.25 N ATOM 1153 CA ALA A 121 13.763 5.894 6.845 1.00 0.28 C ATOM 1154 C ALA A 121 13.039 4.555 6.947 1.00 0.27 C ATOM 1155 O ALA A 121 13.661 3.492 6.875 1.00 0.35 O ATOM 1156 CB ALA A 121 14.168 6.379 8.224 1.00 0.33 C ATOM 0 H ALA A 121 12.883 7.774 6.768 1.00 0.25 H new ATOM 0 HA ALA A 121 14.642 5.725 6.223 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.781 5.620 8.711 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.740 7.303 8.132 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.275 6.563 8.822 1.00 0.33 H new ATOM 1162 N LYS A 122 11.727 4.602 7.126 1.00 0.22 N ATOM 1163 CA LYS A 122 10.945 3.394 7.267 1.00 0.27 C ATOM 1164 C LYS A 122 9.809 3.357 6.256 1.00 0.19 C ATOM 1165 O LYS A 122 8.818 2.654 6.451 1.00 0.18 O ATOM 1166 CB LYS A 122 10.416 3.289 8.691 1.00 0.39 C ATOM 1167 CG LYS A 122 11.505 2.996 9.707 1.00 0.49 C ATOM 1168 CD LYS A 122 11.480 1.535 10.126 1.00 0.66 C ATOM 1169 CE LYS A 122 12.510 1.236 11.202 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.401 -0.164 11.696 1.00 1.79 N ATOM 0 H LYS A 122 11.187 5.466 7.176 1.00 0.22 H new ATOM 0 HA LYS A 122 11.585 2.535 7.067 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.919 4.222 8.958 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.663 2.502 8.736 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.479 3.240 9.282 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.371 3.631 10.582 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.486 1.280 10.494 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.670 0.905 9.257 1.00 0.66 H new ATOM 0 HE2 LYS A 122 13.511 1.405 10.804 1.00 1.28 H new ATOM 0 HE3 LYS A 122 12.377 1.927 12.035 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 13.120 -0.330 12.429 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 11.454 -0.317 12.098 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.553 -0.824 10.906 1.00 1.79 H new ATOM 1184 N LEU A 123 9.975 4.110 5.167 1.00 0.17 N ATOM 1185 CA LEU A 123 9.036 4.107 4.054 1.00 0.14 C ATOM 1186 C LEU A 123 8.709 2.683 3.614 1.00 0.12 C ATOM 1187 O LEU A 123 7.562 2.366 3.317 1.00 0.12 O ATOM 1188 CB LEU A 123 9.645 4.876 2.886 1.00 0.16 C ATOM 1189 CG LEU A 123 9.003 4.612 1.536 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.850 5.562 1.295 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.041 4.726 0.449 1.00 0.21 C ATOM 0 H LEU A 123 10.767 4.739 5.036 1.00 0.17 H new ATOM 0 HA LEU A 123 8.110 4.583 4.377 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.579 5.943 3.100 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.705 4.629 2.822 1.00 0.16 H new ATOM 0 HG LEU A 123 8.599 3.599 1.526 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.405 5.355 0.322 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.099 5.428 2.073 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.214 6.589 1.316 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.577 4.536 -0.519 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.467 5.729 0.456 1.00 0.21 H new ATOM 0 HD23 LEU A 123 10.831 3.995 0.622 1.00 0.21 H new ATOM 1203 N TYR A 124 9.725 1.828 3.598 1.00 0.13 N ATOM 1204 CA TYR A 124 9.568 0.458 3.125 1.00 0.13 C ATOM 1205 C TYR A 124 8.610 -0.323 3.994 1.00 0.13 C ATOM 1206 O TYR A 124 7.806 -1.074 3.479 1.00 0.14 O ATOM 1207 CB TYR A 124 10.906 -0.253 3.058 1.00 0.14 C ATOM 1208 CG TYR A 124 11.833 0.333 2.036 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.601 1.449 2.327 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.932 -0.226 0.774 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.447 1.990 1.386 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.770 0.304 -0.168 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.533 1.417 0.140 1.00 0.24 C ATOM 1214 OH TYR A 124 14.379 1.962 -0.794 1.00 0.31 O ATOM 0 H TYR A 124 10.669 2.060 3.908 1.00 0.13 H new ATOM 0 HA TYR A 124 9.150 0.512 2.120 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.382 -0.212 4.038 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.740 -1.306 2.828 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.535 1.901 3.306 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.338 -1.094 0.529 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.040 2.860 1.626 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.836 -0.144 -1.148 1.00 0.19 H new ATOM 0 HH TYR A 124 14.833 1.244 -1.283 1.00 0.31 H new ATOM 1224 N VAL A 125 8.703 -0.152 5.303 1.00 0.13 N ATOM 1225 CA VAL A 125 7.743 -0.782 6.212 1.00 0.14 C ATOM 1226 C VAL A 125 6.317 -0.406 5.828 1.00 0.12 C ATOM 1227 O VAL A 125 5.422 -1.246 5.808 1.00 0.14 O ATOM 1228 CB VAL A 125 7.985 -0.365 7.677 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.935 -0.979 8.600 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.395 -0.744 8.108 1.00 0.23 C ATOM 0 H VAL A 125 9.421 0.409 5.761 1.00 0.13 H new ATOM 0 HA VAL A 125 7.883 -1.859 6.124 1.00 0.14 H new ATOM 0 HB VAL A 125 7.889 0.718 7.750 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.128 -0.670 9.627 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.944 -0.640 8.299 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.983 -2.066 8.533 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.552 -0.444 9.144 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.525 -1.823 8.019 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.119 -0.237 7.470 1.00 0.23 H new ATOM 1240 N TYR A 126 6.124 0.861 5.506 1.00 0.11 N ATOM 1241 CA TYR A 126 4.816 1.358 5.120 1.00 0.11 C ATOM 1242 C TYR A 126 4.461 0.849 3.729 1.00 0.10 C ATOM 1243 O TYR A 126 3.293 0.631 3.412 1.00 0.11 O ATOM 1244 CB TYR A 126 4.812 2.883 5.183 1.00 0.12 C ATOM 1245 CG TYR A 126 5.361 3.398 6.494 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.981 2.810 7.694 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.274 4.444 6.536 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.491 3.249 8.899 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.790 4.890 7.737 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.397 4.290 8.915 1.00 0.20 C ATOM 1251 OH TYR A 126 6.906 4.743 10.111 1.00 0.25 O ATOM 0 H TYR A 126 6.860 1.567 5.504 1.00 0.11 H new ATOM 0 HA TYR A 126 4.057 0.990 5.811 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.406 3.281 4.360 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.794 3.249 5.048 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.273 1.994 7.684 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.585 4.916 5.616 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.183 2.781 9.823 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.498 5.705 7.754 1.00 0.20 H new ATOM 0 HH TYR A 126 7.531 5.479 9.943 1.00 0.25 H new ATOM 1261 N ILE A 127 5.492 0.660 2.911 1.00 0.11 N ATOM 1262 CA ILE A 127 5.366 -0.038 1.638 1.00 0.11 C ATOM 1263 C ILE A 127 4.859 -1.459 1.874 1.00 0.11 C ATOM 1264 O ILE A 127 3.906 -1.903 1.235 1.00 0.11 O ATOM 1265 CB ILE A 127 6.729 -0.084 0.899 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.080 1.305 0.363 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.709 -1.105 -0.222 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.555 1.509 0.093 1.00 0.11 C ATOM 0 H ILE A 127 6.437 0.986 3.113 1.00 0.11 H new ATOM 0 HA ILE A 127 4.653 0.504 1.017 1.00 0.11 H new ATOM 0 HB ILE A 127 7.497 -0.390 1.610 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.526 1.477 -0.560 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.746 2.055 1.080 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.677 -1.115 -0.722 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.503 -2.093 0.189 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.932 -0.842 -0.940 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.720 2.518 -0.284 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.117 1.371 1.017 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.893 0.785 -0.648 1.00 0.11 H new ATOM 1280 N ASN A 128 5.508 -2.155 2.810 1.00 0.12 N ATOM 1281 CA ASN A 128 5.119 -3.499 3.199 1.00 0.14 C ATOM 1282 C ASN A 128 3.671 -3.514 3.630 1.00 0.14 C ATOM 1283 O ASN A 128 2.859 -4.277 3.105 1.00 0.16 O ATOM 1284 CB ASN A 128 5.959 -3.998 4.382 1.00 0.20 C ATOM 1285 CG ASN A 128 7.454 -3.872 4.196 1.00 0.25 C ATOM 1286 OD1 ASN A 128 7.896 -3.829 2.962 1.00 0.50 O flip ATOM 1287 ND2 ASN A 128 8.194 -3.788 5.162 1.00 0.26 N flip ATOM 0 H ASN A 128 6.318 -1.796 3.316 1.00 0.12 H new ATOM 0 HA ASN A 128 5.276 -4.145 2.336 1.00 0.14 H new ATOM 0 HB2 ASN A 128 5.670 -3.443 5.274 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.717 -5.045 4.565 1.00 0.20 H new ATOM 0 HD21 ASN A 128 7.808 -3.826 6.105 1.00 0.26 H new ATOM 0 HD22 ASN A 128 9.199 -3.680 5.027 1.00 0.26 H new ATOM 1294 N GLU A 129 3.366 -2.654 4.595 1.00 0.13 N ATOM 1295 CA GLU A 129 2.029 -2.560 5.147 1.00 0.16 C ATOM 1296 C GLU A 129 1.017 -2.350 4.055 1.00 0.15 C ATOM 1297 O GLU A 129 0.180 -3.200 3.818 1.00 0.17 O ATOM 1298 CB GLU A 129 1.945 -1.410 6.141 1.00 0.23 C ATOM 1299 CG GLU A 129 2.684 -1.684 7.429 1.00 0.29 C ATOM 1300 CD GLU A 129 2.393 -0.660 8.502 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.265 -0.642 9.031 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.301 0.141 8.812 1.00 1.03 O ATOM 0 H GLU A 129 4.037 -2.008 5.011 1.00 0.13 H new ATOM 0 HA GLU A 129 1.810 -3.497 5.659 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.351 -0.509 5.681 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.898 -1.208 6.366 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.412 -2.674 7.795 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.756 -1.701 7.231 1.00 0.29 H new ATOM 1309 N LEU A 130 1.151 -1.238 3.362 1.00 0.14 N ATOM 1310 CA LEU A 130 0.240 -0.859 2.295 1.00 0.15 C ATOM 1311 C LEU A 130 0.041 -1.992 1.281 1.00 0.15 C ATOM 1312 O LEU A 130 -1.075 -2.234 0.833 1.00 0.18 O ATOM 1313 CB LEU A 130 0.802 0.385 1.618 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.160 1.162 0.732 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.492 1.376 1.437 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.470 2.495 0.370 1.00 0.12 C ATOM 0 H LEU A 130 1.900 -0.565 3.523 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.743 -0.651 2.717 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.174 1.057 2.391 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.660 0.088 1.014 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.354 0.591 -0.176 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.164 1.934 0.784 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.937 0.410 1.675 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.331 1.938 2.357 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.213 3.059 -0.265 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.671 3.061 1.279 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.404 2.323 -0.164 1.00 0.12 H new ATOM 1328 N CYS A 131 1.119 -2.700 0.954 1.00 0.14 N ATOM 1329 CA CYS A 131 1.056 -3.797 -0.009 1.00 0.17 C ATOM 1330 C CYS A 131 0.261 -4.982 0.544 1.00 0.18 C ATOM 1331 O CYS A 131 -0.619 -5.524 -0.129 1.00 0.21 O ATOM 1332 CB CYS A 131 2.475 -4.242 -0.383 1.00 0.20 C ATOM 1333 SG CYS A 131 2.547 -5.606 -1.568 1.00 0.53 S ATOM 0 H CYS A 131 2.048 -2.534 1.342 1.00 0.14 H new ATOM 0 HA CYS A 131 0.541 -3.437 -0.900 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.012 -3.389 -0.798 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.000 -4.538 0.525 1.00 0.20 H new ATOM 0 HG CYS A 131 3.466 -5.362 -2.455 1.00 0.53 H new ATOM 1339 N THR A 132 0.560 -5.380 1.774 1.00 0.19 N ATOM 1340 CA THR A 132 -0.120 -6.510 2.387 1.00 0.23 C ATOM 1341 C THR A 132 -1.531 -6.112 2.791 1.00 0.21 C ATOM 1342 O THR A 132 -2.457 -6.921 2.749 1.00 0.22 O ATOM 1343 CB THR A 132 0.647 -7.021 3.614 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.027 -7.176 3.275 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.086 -8.355 4.085 1.00 0.36 C ATOM 0 H THR A 132 1.266 -4.938 2.363 1.00 0.19 H new ATOM 0 HA THR A 132 -0.165 -7.315 1.653 1.00 0.23 H new ATOM 0 HB THR A 132 0.539 -6.297 4.422 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.450 -6.294 3.214 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.645 -8.698 4.956 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.964 -8.234 4.352 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.174 -9.090 3.285 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.674 -4.848 3.155 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.958 -4.249 3.476 1.00 0.17 C ATOM 1355 C VAL A 133 -3.945 -4.482 2.341 1.00 0.18 C ATOM 1356 O VAL A 133 -5.117 -4.798 2.570 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.780 -2.733 3.725 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.057 -1.963 3.450 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.303 -2.474 5.151 1.00 0.18 C ATOM 0 H VAL A 133 -0.890 -4.201 3.237 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.351 -4.714 4.380 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.021 -2.377 3.028 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.890 -0.902 3.637 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.352 -2.106 2.410 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.849 -2.326 4.105 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.184 -1.402 5.306 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.037 -2.863 5.857 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.347 -2.972 5.311 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.443 -4.351 1.120 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.247 -4.552 -0.068 1.00 0.20 C ATOM 1371 C LEU A 134 -4.854 -5.949 -0.089 1.00 0.23 C ATOM 1372 O LEU A 134 -6.060 -6.097 -0.195 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.386 -4.335 -1.313 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.821 -2.924 -1.450 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.841 -2.833 -2.600 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.939 -1.928 -1.640 1.00 0.20 C ATOM 0 H LEU A 134 -2.472 -4.104 0.931 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.063 -3.830 -0.059 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.559 -5.045 -1.296 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.983 -4.562 -2.197 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.285 -2.688 -0.531 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.457 -1.815 -2.671 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.014 -3.522 -2.429 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.346 -3.096 -3.530 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.521 -0.926 -1.736 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.498 -2.176 -2.542 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.606 -1.962 -0.779 1.00 0.20 H new ATOM 1388 N LYS A 135 -4.027 -6.970 0.053 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.509 -8.339 -0.058 1.00 0.29 C ATOM 1390 C LYS A 135 -5.166 -8.837 1.216 1.00 0.30 C ATOM 1391 O LYS A 135 -6.024 -9.713 1.171 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.396 -9.280 -0.495 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.250 -9.331 -2.004 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.561 -9.726 -2.679 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.706 -11.239 -2.814 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.796 -11.930 -1.499 1.00 1.59 N ATOM 0 H LYS A 135 -3.029 -6.881 0.243 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.280 -8.332 -0.828 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.454 -8.957 -0.051 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.600 -10.282 -0.117 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.929 -8.357 -2.373 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.472 -10.046 -2.272 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -5.398 -9.332 -2.102 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.612 -9.268 -3.667 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.598 -11.463 -3.399 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.854 -11.633 -3.369 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.313 -12.825 -1.612 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -3.838 -12.126 -1.143 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.299 -11.323 -0.821 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.749 -8.298 2.347 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.300 -8.698 3.637 1.00 0.30 C ATOM 1412 C ALA A 136 -6.802 -8.465 3.700 1.00 0.31 C ATOM 1413 O ALA A 136 -7.529 -9.225 4.337 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.621 -7.943 4.769 1.00 0.33 C ATOM 0 H ALA A 136 -4.028 -7.579 2.402 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.112 -9.766 3.751 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -5.047 -8.256 5.722 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.553 -8.158 4.761 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.776 -6.872 4.637 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.266 -7.404 3.053 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.663 -7.038 3.142 1.00 0.35 C ATOM 1422 C HIS A 137 -9.345 -7.047 1.777 1.00 0.35 C ATOM 1423 O HIS A 137 -10.548 -6.811 1.675 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.795 -5.665 3.785 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.981 -5.504 5.032 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.318 -6.079 6.235 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.815 -4.852 5.245 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.392 -5.790 7.132 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.471 -5.045 6.556 1.00 0.49 N ATOM 0 H HIS A 137 -6.698 -6.791 2.468 1.00 0.30 H new ATOM 0 HA HIS A 137 -9.163 -7.783 3.760 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.493 -4.905 3.064 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.844 -5.483 4.020 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.258 -4.284 4.515 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.390 -6.110 8.163 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.638 -4.673 7.012 1.00 0.49 H new ATOM 1438 N SER A 138 -8.580 -7.323 0.730 1.00 0.31 N ATOM 1439 CA SER A 138 -9.127 -7.345 -0.617 1.00 0.33 C ATOM 1440 C SER A 138 -8.660 -8.591 -1.359 1.00 0.55 C ATOM 1441 O SER A 138 -7.492 -8.974 -1.272 1.00 1.05 O ATOM 1442 CB SER A 138 -8.692 -6.108 -1.391 1.00 0.38 C ATOM 1443 OG SER A 138 -8.439 -5.026 -0.528 1.00 1.00 O ATOM 0 H SER A 138 -7.584 -7.534 0.788 1.00 0.31 H new ATOM 0 HA SER A 138 -10.214 -7.356 -0.540 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.794 -6.334 -1.967 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.468 -5.832 -2.105 1.00 0.38 H new ATOM 0 HG SER A 138 -7.506 -5.056 -0.230 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.584 -9.204 -2.087 1.00 0.38 N ATOM 1450 CA ALA A 139 -9.313 -10.395 -2.888 1.00 0.60 C ATOM 1451 C ALA A 139 -8.661 -11.485 -2.050 1.00 1.01 C ATOM 1452 O ALA A 139 -7.596 -12.001 -2.379 1.00 1.45 O ATOM 1453 CB ALA A 139 -8.459 -10.040 -4.088 1.00 1.41 C ATOM 0 H ALA A 139 -10.552 -8.887 -2.140 1.00 0.38 H new ATOM 0 HA ALA A 139 -10.263 -10.788 -3.250 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -8.265 -10.938 -4.675 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -8.983 -9.309 -4.704 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -7.513 -9.617 -3.749 1.00 1.41 H new ATOM 1459 N LYS A 140 -9.327 -11.828 -0.972 1.00 1.55 N ATOM 1460 CA LYS A 140 -8.816 -12.802 -0.020 1.00 2.37 C ATOM 1461 C LYS A 140 -9.967 -13.628 0.526 1.00 2.97 C ATOM 1462 O LYS A 140 -9.809 -14.800 0.868 1.00 3.60 O ATOM 1463 CB LYS A 140 -8.086 -12.088 1.123 1.00 2.91 C ATOM 1464 CG LYS A 140 -7.468 -13.024 2.152 1.00 3.65 C ATOM 1465 CD LYS A 140 -6.754 -12.250 3.251 1.00 4.31 C ATOM 1466 CE LYS A 140 -6.142 -13.174 4.294 1.00 5.16 C ATOM 1467 NZ LYS A 140 -7.175 -13.955 5.025 1.00 5.98 N ATOM 0 H LYS A 140 -10.239 -11.443 -0.725 1.00 1.55 H new ATOM 0 HA LYS A 140 -8.109 -13.462 -0.523 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -7.301 -11.461 0.701 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -8.787 -11.424 1.628 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -8.246 -13.648 2.591 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -6.763 -13.693 1.660 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -5.971 -11.633 2.810 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -7.459 -11.574 3.735 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -5.447 -13.859 3.808 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -5.563 -12.584 5.005 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -6.739 -14.427 5.843 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -7.926 -13.315 5.354 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -7.583 -14.670 4.390 1.00 5.98 H new ATOM 1481 N LYS A 141 -11.132 -13.006 0.569 1.00 3.06 N ATOM 1482 CA LYS A 141 -12.317 -13.621 1.105 1.00 3.93 C ATOM 1483 C LYS A 141 -12.986 -14.508 0.057 1.00 4.23 C ATOM 1484 O LYS A 141 -13.932 -14.097 -0.618 1.00 4.43 O ATOM 1485 CB LYS A 141 -13.255 -12.520 1.577 1.00 4.13 C ATOM 1486 CG LYS A 141 -14.573 -13.025 2.126 1.00 5.03 C ATOM 1487 CD LYS A 141 -15.494 -11.879 2.511 1.00 5.51 C ATOM 1488 CE LYS A 141 -16.797 -12.384 3.107 1.00 6.31 C ATOM 1489 NZ LYS A 141 -17.533 -13.270 2.167 1.00 6.50 N ATOM 0 H LYS A 141 -11.275 -12.055 0.229 1.00 3.06 H new ATOM 0 HA LYS A 141 -12.057 -14.263 1.947 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -12.753 -11.935 2.347 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -13.455 -11.846 0.744 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -15.063 -13.651 1.380 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -14.388 -13.653 2.998 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -14.991 -11.233 3.230 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -15.707 -11.272 1.631 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -16.588 -12.927 4.028 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -17.427 -11.535 3.373 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -18.439 -13.551 2.593 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -17.711 -12.761 1.278 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -16.964 -14.118 1.972 1.00 6.50 H new ATOM 1503 N LYS A 142 -12.455 -15.709 -0.111 1.00 4.72 N ATOM 1504 CA LYS A 142 -13.056 -16.686 -1.008 1.00 5.36 C ATOM 1505 C LYS A 142 -13.449 -17.943 -0.243 1.00 5.84 C ATOM 1506 O LYS A 142 -14.211 -18.771 -0.740 1.00 6.44 O ATOM 1507 CB LYS A 142 -12.107 -17.070 -2.152 1.00 6.09 C ATOM 1508 CG LYS A 142 -11.826 -15.955 -3.156 1.00 6.27 C ATOM 1509 CD LYS A 142 -10.684 -15.051 -2.712 1.00 6.25 C ATOM 1510 CE LYS A 142 -9.404 -15.839 -2.466 1.00 7.00 C ATOM 1511 NZ LYS A 142 -8.986 -16.632 -3.654 1.00 7.51 N ATOM 0 H LYS A 142 -11.610 -16.031 0.361 1.00 4.72 H new ATOM 0 HA LYS A 142 -13.944 -16.221 -1.437 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -11.161 -17.401 -1.724 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -12.530 -17.921 -2.685 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -11.584 -16.394 -4.124 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -12.727 -15.357 -3.293 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -10.503 -14.292 -3.473 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -10.969 -14.526 -1.800 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -8.604 -15.151 -2.193 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -9.551 -16.509 -1.619 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -8.038 -17.027 -3.492 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -9.662 -17.407 -3.809 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -8.966 -16.017 -4.492 1.00 7.51 H new ATOM 1525 N LEU A 143 -12.922 -18.080 0.969 1.00 5.94 N ATOM 1526 CA LEU A 143 -13.169 -19.257 1.777 1.00 6.75 C ATOM 1527 C LEU A 143 -14.467 -19.123 2.563 1.00 7.48 C ATOM 1528 O LEU A 143 -14.990 -20.106 3.094 1.00 8.28 O ATOM 1529 CB LEU A 143 -11.998 -19.504 2.727 1.00 7.07 C ATOM 1530 CG LEU A 143 -10.633 -19.679 2.055 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -9.547 -19.893 3.098 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -10.668 -20.840 1.074 1.00 7.50 C ATOM 0 H LEU A 143 -12.320 -17.385 1.410 1.00 5.94 H new ATOM 0 HA LEU A 143 -13.267 -20.111 1.107 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -11.936 -18.669 3.425 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -12.211 -20.396 3.315 1.00 7.07 H new ATOM 0 HG LEU A 143 -10.402 -18.768 1.502 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -8.585 -20.015 2.601 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -9.505 -19.030 3.762 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -9.772 -20.787 3.679 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -9.690 -20.950 0.606 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -10.921 -21.758 1.605 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -11.418 -20.646 0.307 1.00 7.50 H new ATOM 1544 N ASN A 144 -14.984 -17.906 2.631 1.00 7.45 N ATOM 1545 CA ASN A 144 -16.217 -17.636 3.343 1.00 8.37 C ATOM 1546 C ASN A 144 -16.990 -16.539 2.628 1.00 8.41 C ATOM 1547 O ASN A 144 -18.233 -16.561 2.666 1.00 8.66 O ATOM 1548 CB ASN A 144 -15.949 -17.230 4.800 1.00 8.96 C ATOM 1549 CG ASN A 144 -15.315 -15.856 4.930 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -16.011 -14.842 5.015 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -13.994 -15.811 4.977 1.00 8.96 N ATOM 1552 OXT ASN A 144 -16.341 -15.677 1.996 1.00 8.44 O ATOM 0 H ASN A 144 -14.562 -17.085 2.197 1.00 7.45 H new ATOM 0 HA ASN A 144 -16.809 -18.551 3.358 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -16.888 -17.244 5.353 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -15.296 -17.970 5.263 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -13.518 -14.916 5.087 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -13.451 -16.672 4.903 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 1.221 -20.620 7.338 1.00 6.31 N ATOM 1561 CA GLY B 22 2.405 -19.753 7.538 1.00 6.12 C ATOM 1562 C GLY B 22 2.511 -18.703 6.457 1.00 5.43 C ATOM 1563 O GLY B 22 1.567 -18.502 5.690 1.00 5.38 O ATOM 0 HA2 GLY B 22 2.342 -19.269 8.512 1.00 6.12 H new ATOM 0 HA3 GLY B 22 3.308 -20.364 7.543 1.00 6.12 H new ATOM 1569 N SER B 23 3.652 -18.040 6.374 1.00 5.22 N ATOM 1570 CA SER B 23 3.843 -16.993 5.389 1.00 4.79 C ATOM 1571 C SER B 23 4.518 -17.539 4.134 1.00 4.18 C ATOM 1572 O SER B 23 5.710 -17.333 3.915 1.00 4.62 O ATOM 1573 CB SER B 23 4.655 -15.843 5.995 1.00 5.71 C ATOM 1574 OG SER B 23 5.792 -16.327 6.692 1.00 6.30 O ATOM 0 H SER B 23 4.458 -18.209 6.976 1.00 5.22 H new ATOM 0 HA SER B 23 2.866 -16.610 5.096 1.00 4.79 H new ATOM 0 HB2 SER B 23 4.972 -15.163 5.205 1.00 5.71 H new ATOM 0 HB3 SER B 23 4.026 -15.269 6.675 1.00 5.71 H new ATOM 0 HG SER B 23 6.319 -16.903 6.099 1.00 6.30 H new ATOM 1580 N GLN B 24 3.752 -18.267 3.325 1.00 3.65 N ATOM 1581 CA GLN B 24 4.239 -18.720 2.027 1.00 3.63 C ATOM 1582 C GLN B 24 4.109 -17.587 1.024 1.00 2.91 C ATOM 1583 O GLN B 24 4.753 -17.576 -0.024 1.00 3.33 O ATOM 1584 CB GLN B 24 3.478 -19.961 1.551 1.00 4.12 C ATOM 1585 CG GLN B 24 3.731 -21.183 2.406 1.00 4.90 C ATOM 1586 CD GLN B 24 5.203 -21.528 2.514 1.00 5.51 C ATOM 1587 OE1 GLN B 24 5.743 -22.282 1.705 1.00 5.87 O ATOM 1588 NE2 GLN B 24 5.865 -20.977 3.519 1.00 6.00 N ATOM 0 H GLN B 24 2.798 -18.554 3.544 1.00 3.65 H new ATOM 0 HA GLN B 24 5.288 -19.002 2.120 1.00 3.63 H new ATOM 0 HB2 GLN B 24 2.410 -19.744 1.547 1.00 4.12 H new ATOM 0 HB3 GLN B 24 3.763 -20.181 0.522 1.00 4.12 H new ATOM 0 HG2 GLN B 24 3.328 -21.012 3.404 1.00 4.90 H new ATOM 0 HG3 GLN B 24 3.193 -22.033 1.986 1.00 4.90 H new ATOM 0 HE21 GLN B 24 5.382 -20.357 4.169 1.00 6.00 H new ATOM 0 HE22 GLN B 24 6.858 -21.172 3.643 1.00 6.00 H new ATOM 1597 N GLU B 25 3.247 -16.642 1.364 1.00 2.35 N ATOM 1598 CA GLU B 25 3.176 -15.376 0.668 1.00 2.01 C ATOM 1599 C GLU B 25 3.836 -14.313 1.530 1.00 1.56 C ATOM 1600 O GLU B 25 3.418 -14.066 2.662 1.00 1.77 O ATOM 1601 CB GLU B 25 1.723 -15.013 0.352 1.00 2.30 C ATOM 1602 CG GLU B 25 0.762 -15.254 1.508 1.00 2.88 C ATOM 1603 CD GLU B 25 -0.680 -14.987 1.138 1.00 3.50 C ATOM 1604 OE1 GLU B 25 -1.328 -15.889 0.567 1.00 3.84 O ATOM 1605 OE2 GLU B 25 -1.178 -13.877 1.423 1.00 4.06 O ATOM 0 H GLU B 25 2.580 -16.735 2.130 1.00 2.35 H new ATOM 0 HA GLU B 25 3.703 -15.446 -0.284 1.00 2.01 H new ATOM 0 HB2 GLU B 25 1.675 -13.962 0.066 1.00 2.30 H new ATOM 0 HB3 GLU B 25 1.393 -15.594 -0.509 1.00 2.30 H new ATOM 0 HG2 GLU B 25 0.860 -16.285 1.847 1.00 2.88 H new ATOM 0 HG3 GLU B 25 1.041 -14.615 2.346 1.00 2.88 H new ATOM 1612 N ASP B 26 4.898 -13.727 1.012 1.00 1.15 N ATOM 1613 CA ASP B 26 5.687 -12.772 1.779 1.00 0.84 C ATOM 1614 C ASP B 26 4.949 -11.454 1.919 1.00 0.89 C ATOM 1615 O ASP B 26 4.340 -10.958 0.970 1.00 1.83 O ATOM 1616 CB ASP B 26 7.049 -12.531 1.130 1.00 0.68 C ATOM 1617 CG ASP B 26 7.923 -13.770 1.104 1.00 1.00 C ATOM 1618 OD1 ASP B 26 7.772 -14.587 0.174 1.00 1.49 O ATOM 1619 OD2 ASP B 26 8.767 -13.933 2.011 1.00 1.27 O ATOM 0 H ASP B 26 5.237 -13.893 0.064 1.00 1.15 H new ATOM 0 HA ASP B 26 5.844 -13.200 2.769 1.00 0.84 H new ATOM 0 HB2 ASP B 26 6.901 -12.176 0.110 1.00 0.68 H new ATOM 0 HB3 ASP B 26 7.567 -11.739 1.671 1.00 0.68 H new ATOM 1624 N SER B 27 5.014 -10.898 3.113 1.00 0.55 N ATOM 1625 CA SER B 27 4.316 -9.672 3.431 1.00 0.54 C ATOM 1626 C SER B 27 5.266 -8.489 3.360 1.00 0.44 C ATOM 1627 O SER B 27 5.356 -7.795 2.349 1.00 0.53 O ATOM 1628 CB SER B 27 3.693 -9.797 4.828 1.00 0.75 C ATOM 1629 OG SER B 27 3.079 -8.593 5.254 1.00 1.37 O ATOM 0 H SER B 27 5.552 -11.285 3.888 1.00 0.55 H new ATOM 0 HA SER B 27 3.522 -9.502 2.703 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.953 -10.597 4.823 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.465 -10.081 5.543 1.00 0.75 H new ATOM 0 HG SER B 27 2.828 -8.059 4.471 1.00 1.37 H new ATOM 1635 N ASP B 28 5.990 -8.295 4.432 1.00 0.43 N ATOM 1636 CA ASP B 28 6.966 -7.227 4.528 1.00 0.37 C ATOM 1637 C ASP B 28 8.286 -7.660 3.922 1.00 0.33 C ATOM 1638 O ASP B 28 8.974 -6.875 3.265 1.00 0.31 O ATOM 1639 CB ASP B 28 7.157 -6.815 5.994 1.00 0.44 C ATOM 1640 CG ASP B 28 7.535 -7.975 6.897 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.696 -8.886 7.085 1.00 1.07 O ATOM 1642 OD2 ASP B 28 8.656 -7.980 7.436 1.00 1.83 O ATOM 0 H ASP B 28 5.923 -8.873 5.270 1.00 0.43 H new ATOM 0 HA ASP B 28 6.598 -6.366 3.969 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.932 -6.051 6.052 1.00 0.44 H new ATOM 0 HB3 ASP B 28 6.235 -6.363 6.361 1.00 0.44 H new ATOM 1647 N SER B 29 8.612 -8.928 4.108 1.00 0.36 N ATOM 1648 CA SER B 29 9.872 -9.471 3.638 1.00 0.34 C ATOM 1649 C SER B 29 9.951 -9.472 2.127 1.00 0.33 C ATOM 1650 O SER B 29 11.036 -9.382 1.565 1.00 0.34 O ATOM 1651 CB SER B 29 10.042 -10.875 4.150 1.00 0.39 C ATOM 1652 OG SER B 29 9.881 -10.915 5.557 1.00 1.07 O ATOM 0 H SER B 29 8.015 -9.604 4.585 1.00 0.36 H new ATOM 0 HA SER B 29 10.672 -8.835 4.018 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.312 -11.532 3.676 1.00 0.39 H new ATOM 0 HB3 SER B 29 11.030 -11.249 3.881 1.00 0.39 H new ATOM 0 HG SER B 29 10.403 -10.194 5.967 1.00 1.07 H new ATOM 1658 N GLU B 30 8.792 -9.554 1.490 1.00 0.35 N ATOM 1659 CA GLU B 30 8.686 -9.563 0.033 1.00 0.37 C ATOM 1660 C GLU B 30 9.508 -8.429 -0.565 1.00 0.34 C ATOM 1661 O GLU B 30 10.187 -8.585 -1.578 1.00 0.39 O ATOM 1662 CB GLU B 30 7.229 -9.400 -0.361 1.00 0.45 C ATOM 1663 CG GLU B 30 6.984 -9.596 -1.826 1.00 0.68 C ATOM 1664 CD GLU B 30 7.187 -11.021 -2.289 1.00 1.37 C ATOM 1665 OE1 GLU B 30 8.353 -11.404 -2.532 1.00 1.57 O ATOM 1666 OE2 GLU B 30 6.193 -11.767 -2.394 1.00 2.33 O ATOM 0 H GLU B 30 7.893 -9.617 1.969 1.00 0.35 H new ATOM 0 HA GLU B 30 9.069 -10.510 -0.348 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.626 -10.115 0.200 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.892 -8.404 -0.074 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.965 -9.289 -2.060 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.651 -8.942 -2.388 1.00 0.68 H new ATOM 1673 N LEU B 31 9.443 -7.298 0.104 1.00 0.28 N ATOM 1674 CA LEU B 31 10.169 -6.113 -0.276 1.00 0.24 C ATOM 1675 C LEU B 31 11.636 -6.286 0.043 1.00 0.25 C ATOM 1676 O LEU B 31 12.513 -6.110 -0.804 1.00 0.26 O ATOM 1677 CB LEU B 31 9.658 -4.932 0.508 1.00 0.20 C ATOM 1678 CG LEU B 31 8.220 -4.475 0.231 1.00 0.20 C ATOM 1679 CD1 LEU B 31 8.054 -3.935 -1.173 1.00 0.19 C ATOM 1680 CD2 LEU B 31 7.227 -5.586 0.490 1.00 0.24 C ATOM 0 H LEU B 31 8.873 -7.178 0.941 1.00 0.28 H new ATOM 0 HA LEU B 31 10.032 -5.948 -1.345 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.738 -5.171 1.569 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.323 -4.089 0.320 1.00 0.20 H new ATOM 0 HG LEU B 31 8.014 -3.660 0.925 1.00 0.20 H new ATOM 0 HD11 LEU B 31 7.020 -3.624 -1.323 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.715 -3.080 -1.314 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.307 -4.712 -1.894 1.00 0.19 H new ATOM 0 HD21 LEU B 31 6.218 -5.228 0.284 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.451 -6.433 -0.159 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.295 -5.899 1.532 1.00 0.24 H new ATOM 1692 N GLU B 32 11.862 -6.645 1.296 1.00 0.26 N ATOM 1693 CA GLU B 32 13.199 -6.812 1.865 1.00 0.29 C ATOM 1694 C GLU B 32 14.088 -7.695 1.003 1.00 0.33 C ATOM 1695 O GLU B 32 15.314 -7.581 1.040 1.00 0.38 O ATOM 1696 CB GLU B 32 13.123 -7.445 3.252 1.00 0.29 C ATOM 1697 CG GLU B 32 11.988 -6.949 4.129 1.00 0.26 C ATOM 1698 CD GLU B 32 12.107 -7.488 5.544 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.685 -8.637 5.786 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.588 -6.746 6.430 1.00 0.47 O ATOM 0 H GLU B 32 11.112 -6.833 1.962 1.00 0.26 H new ATOM 0 HA GLU B 32 13.630 -5.812 1.919 1.00 0.29 H new ATOM 0 HB2 GLU B 32 13.026 -8.524 3.136 1.00 0.29 H new ATOM 0 HB3 GLU B 32 14.066 -7.264 3.768 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.992 -5.859 4.151 1.00 0.26 H new ATOM 0 HG3 GLU B 32 11.034 -7.255 3.700 1.00 0.26 H new ATOM 1707 N GLN B 33 13.458 -8.574 0.244 1.00 0.35 N ATOM 1708 CA GLN B 33 14.165 -9.543 -0.586 1.00 0.40 C ATOM 1709 C GLN B 33 15.143 -8.854 -1.519 1.00 0.39 C ATOM 1710 O GLN B 33 16.253 -9.337 -1.747 1.00 0.48 O ATOM 1711 CB GLN B 33 13.179 -10.355 -1.410 1.00 0.43 C ATOM 1712 CG GLN B 33 12.101 -11.003 -0.585 1.00 0.47 C ATOM 1713 CD GLN B 33 12.642 -11.984 0.434 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.833 -13.166 0.144 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.873 -11.505 1.642 1.00 0.57 N ATOM 0 H GLN B 33 12.442 -8.639 0.183 1.00 0.35 H new ATOM 0 HA GLN B 33 14.719 -10.205 0.080 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.716 -9.705 -2.153 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.722 -11.127 -1.955 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.532 -10.229 -0.069 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.407 -11.521 -1.247 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.702 -10.519 1.841 1.00 0.57 H new ATOM 0 HE22 GLN B 33 13.223 -12.120 2.376 1.00 0.57 H new ATOM 1724 N TYR B 34 14.728 -7.725 -2.058 1.00 0.32 N ATOM 1725 CA TYR B 34 15.538 -7.018 -3.027 1.00 0.32 C ATOM 1726 C TYR B 34 15.774 -5.553 -2.658 1.00 0.30 C ATOM 1727 O TYR B 34 16.680 -4.924 -3.206 1.00 0.37 O ATOM 1728 CB TYR B 34 14.897 -7.113 -4.409 1.00 0.32 C ATOM 1729 CG TYR B 34 13.389 -7.228 -4.394 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.596 -6.275 -3.773 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.756 -8.288 -5.030 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.232 -6.369 -3.779 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.380 -8.392 -5.037 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.621 -7.429 -4.412 1.00 0.34 C ATOM 1735 OH TYR B 34 9.251 -7.527 -4.418 1.00 0.40 O ATOM 0 H TYR B 34 13.837 -7.279 -1.841 1.00 0.32 H new ATOM 0 HA TYR B 34 16.515 -7.500 -3.033 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.176 -6.232 -4.986 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.310 -7.978 -4.928 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.066 -5.440 -3.274 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.349 -9.042 -5.526 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.635 -5.614 -3.289 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.901 -9.225 -5.530 1.00 0.42 H new ATOM 0 HH TYR B 34 8.860 -6.664 -4.166 1.00 0.40 H new ATOM 1745 N PHE B 35 14.978 -4.993 -1.754 1.00 0.27 N ATOM 1746 CA PHE B 35 15.169 -3.601 -1.383 1.00 0.26 C ATOM 1747 C PHE B 35 14.625 -3.282 -0.001 1.00 0.25 C ATOM 1748 O PHE B 35 13.642 -3.867 0.436 1.00 0.25 O ATOM 1749 CB PHE B 35 14.557 -2.658 -2.430 1.00 0.25 C ATOM 1750 CG PHE B 35 13.106 -2.858 -2.758 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.129 -2.795 -1.785 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.725 -3.081 -4.072 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.806 -2.954 -2.109 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.396 -3.244 -4.402 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.434 -3.182 -3.418 1.00 0.18 C ATOM 0 H PHE B 35 14.213 -5.469 -1.276 1.00 0.27 H new ATOM 0 HA PHE B 35 16.246 -3.438 -1.350 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.688 -1.634 -2.082 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.130 -2.757 -3.352 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.410 -2.619 -0.757 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.477 -3.128 -4.846 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.053 -2.901 -1.337 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.110 -3.420 -5.429 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.392 -3.311 -3.670 1.00 0.18 H new ATOM 1765 N THR B 36 15.293 -2.351 0.673 1.00 0.27 N ATOM 1766 CA THR B 36 14.860 -1.839 1.977 1.00 0.27 C ATOM 1767 C THR B 36 15.714 -0.643 2.396 1.00 0.32 C ATOM 1768 O THR B 36 16.559 -0.173 1.629 1.00 0.45 O ATOM 1769 CB THR B 36 14.906 -2.917 3.083 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.886 -3.913 2.763 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.541 -3.556 3.260 1.00 0.27 C ATOM 0 H THR B 36 16.155 -1.926 0.332 1.00 0.27 H new ATOM 0 HA THR B 36 13.822 -1.529 1.859 1.00 0.27 H new ATOM 0 HB THR B 36 15.186 -2.440 4.022 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.908 -4.590 3.471 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.592 -4.313 4.043 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.815 -2.792 3.540 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.234 -4.022 2.324 1.00 0.27 H new ATOM 1779 N ALA B 37 15.479 -0.149 3.606 1.00 0.32 N ATOM 1780 CA ALA B 37 16.207 1.001 4.126 1.00 0.35 C ATOM 1781 C ALA B 37 17.078 0.587 5.303 1.00 0.43 C ATOM 1782 O ALA B 37 17.421 -0.588 5.445 1.00 0.53 O ATOM 1783 CB ALA B 37 15.241 2.100 4.553 1.00 0.29 C ATOM 0 H ALA B 37 14.785 -0.530 4.249 1.00 0.32 H new ATOM 0 HA ALA B 37 16.846 1.389 3.332 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.804 2.950 4.938 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.648 2.417 3.695 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.579 1.720 5.331 1.00 0.29 H new ATOM 1789 N ARG B 38 17.428 1.555 6.140 1.00 0.44 N ATOM 1790 CA ARG B 38 18.255 1.294 7.310 1.00 0.52 C ATOM 1791 C ARG B 38 17.562 0.327 8.272 1.00 0.56 C ATOM 1792 O ARG B 38 18.185 -0.609 8.771 1.00 0.67 O ATOM 1793 CB ARG B 38 18.607 2.607 8.028 1.00 0.57 C ATOM 1794 CG ARG B 38 17.454 3.226 8.798 1.00 0.67 C ATOM 1795 CD ARG B 38 16.765 4.316 8.017 1.00 0.93 C ATOM 1796 NE ARG B 38 17.552 5.551 7.982 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.641 6.413 9.000 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.017 6.170 10.146 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.356 7.519 8.871 1.00 2.94 N ATOM 0 H ARG B 38 17.151 2.530 6.030 1.00 0.44 H new ATOM 0 HA ARG B 38 19.178 0.826 6.969 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.431 2.421 8.717 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.964 3.326 7.291 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.731 2.451 9.051 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.825 3.634 9.738 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.585 3.973 6.998 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.791 4.520 8.462 1.00 0.93 H new ATOM 0 HE ARG B 38 18.064 5.767 7.127 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.464 5.320 10.255 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.091 6.833 10.917 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.840 7.714 7.994 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.423 8.176 9.648 1.00 2.94 H new ATOM 1813 N TRP B 39 16.268 0.561 8.495 1.00 0.54 N ATOM 1814 CA TRP B 39 15.442 -0.253 9.386 1.00 0.64 C ATOM 1815 C TRP B 39 16.112 -0.500 10.735 1.00 0.85 C ATOM 1816 O TRP B 39 16.653 -1.602 10.951 1.00 1.41 O ATOM 1817 CB TRP B 39 15.070 -1.562 8.693 1.00 0.60 C ATOM 1818 CG TRP B 39 14.120 -1.346 7.570 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.119 -0.310 6.693 1.00 0.34 C ATOM 1820 CD2 TRP B 39 13.030 -2.180 7.210 1.00 0.35 C ATOM 1821 NE1 TRP B 39 13.073 -0.440 5.812 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.399 -1.590 6.105 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.525 -3.371 7.712 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.289 -2.157 5.503 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.425 -3.924 7.108 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.820 -3.320 6.014 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.104 0.425 11.572 1.00 1.45 O ATOM 0 H TRP B 39 15.759 1.329 8.057 1.00 0.54 H new ATOM 0 HA TRP B 39 14.529 0.302 9.601 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.973 -2.043 8.317 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.625 -2.243 9.419 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.836 0.498 6.688 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.839 0.213 5.064 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.988 -3.852 8.560 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.813 -1.688 4.655 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 11.021 -4.849 7.492 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.958 -3.787 5.561 1.00 0.25 H new TER 1838 TRP B 39