USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 413 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -129:sc= -0.882 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0705 (180deg=-0.447) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= -1.41 (180deg=-1.48) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= -0.156 (180deg=-0.643) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.51) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.3) USER MOD Single : A 41 ASN :FLIP amide:sc= -2.69! C(o=-3.8!,f=-2.7!) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= -0.0523 (180deg=-0.169) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00286 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.514 F(o=0,f=0.51) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 1.122 -1.814 -2.140 1.00 53.34 N ATOM 12 CA LYS A 2 0.896 -3.072 -2.842 1.00 43.33 C ATOM 13 C LYS A 2 -0.304 -2.965 -3.778 1.00 23.22 C ATOM 14 O LYS A 2 -1.297 -2.311 -3.458 1.00 24.34 O ATOM 15 CB LYS A 2 0.676 -4.206 -1.840 1.00 34.55 C ATOM 16 CG LYS A 2 1.694 -4.229 -0.713 1.00 31.13 C ATOM 17 CD LYS A 2 2.017 -5.650 -0.282 1.00 1.13 C ATOM 18 CE LYS A 2 3.490 -5.972 -0.482 1.00 2.51 C ATOM 19 NZ LYS A 2 4.265 -5.833 0.782 1.00 10.43 N ATOM 0 HA LYS A 2 1.781 -3.290 -3.439 1.00 43.33 H new ATOM 0 HB2 LYS A 2 -0.323 -4.114 -1.414 1.00 34.55 H new ATOM 0 HB3 LYS A 2 0.711 -5.158 -2.369 1.00 34.55 H new ATOM 0 HG2 LYS A 2 2.607 -3.729 -1.036 1.00 31.13 H new ATOM 0 HG3 LYS A 2 1.308 -3.668 0.138 1.00 31.13 H new ATOM 0 HD2 LYS A 2 1.754 -5.782 0.768 1.00 1.13 H new ATOM 0 HD3 LYS A 2 1.409 -6.352 -0.853 1.00 1.13 H new ATOM 0 HE2 LYS A 2 3.591 -6.989 -0.860 1.00 2.51 H new ATOM 0 HE3 LYS A 2 3.907 -5.308 -1.239 1.00 2.51 H new ATOM 0 HZ1 LYS A 2 5.264 -6.061 0.604 1.00 10.43 H new ATOM 0 HZ2 LYS A 2 4.190 -4.856 1.130 1.00 10.43 H new ATOM 0 HZ3 LYS A 2 3.883 -6.485 1.497 1.00 10.43 H new ATOM 33 N TYR A 3 -0.206 -3.613 -4.934 1.00 11.44 N ATOM 34 CA TYR A 3 -1.283 -3.590 -5.916 1.00 14.32 C ATOM 35 C TYR A 3 -1.606 -4.999 -6.404 1.00 0.24 C ATOM 36 O TYR A 3 -0.710 -5.772 -6.743 1.00 62.24 O ATOM 37 CB TYR A 3 -0.902 -2.702 -7.102 1.00 22.32 C ATOM 38 CG TYR A 3 -0.653 -1.260 -6.723 1.00 53.43 C ATOM 39 CD1 TYR A 3 -1.496 -0.598 -5.839 1.00 34.01 C ATOM 40 CD2 TYR A 3 0.424 -0.558 -7.251 1.00 14.14 C ATOM 41 CE1 TYR A 3 -1.274 0.720 -5.491 1.00 1.24 C ATOM 42 CE2 TYR A 3 0.655 0.760 -6.907 1.00 33.11 C ATOM 43 CZ TYR A 3 -0.197 1.395 -6.027 1.00 22.41 C ATOM 44 OH TYR A 3 0.029 2.708 -5.683 1.00 62.21 O ATOM 0 H TYR A 3 0.608 -4.160 -5.213 1.00 11.44 H new ATOM 0 HA TYR A 3 -2.170 -3.180 -5.434 1.00 14.32 H new ATOM 0 HB2 TYR A 3 -0.006 -3.105 -7.574 1.00 22.32 H new ATOM 0 HB3 TYR A 3 -1.698 -2.741 -7.845 1.00 22.32 H new ATOM 0 HD1 TYR A 3 -2.340 -1.123 -5.417 1.00 34.01 H new ATOM 0 HD2 TYR A 3 1.092 -1.051 -7.942 1.00 14.14 H new ATOM 0 HE1 TYR A 3 -1.940 1.219 -4.803 1.00 1.24 H new ATOM 0 HE2 TYR A 3 1.498 1.290 -7.325 1.00 33.11 H new ATOM 0 HH TYR A 3 0.828 3.035 -6.147 1.00 62.21 H new ATOM 54 N THR A 4 -2.894 -5.326 -6.436 1.00 71.44 N ATOM 55 CA THR A 4 -3.337 -6.641 -6.882 1.00 32.44 C ATOM 56 C THR A 4 -3.868 -6.588 -8.310 1.00 23.43 C ATOM 57 O THR A 4 -4.825 -5.873 -8.600 1.00 75.14 O ATOM 58 CB THR A 4 -4.434 -7.207 -5.959 1.00 43.23 C ATOM 59 OG1 THR A 4 -4.659 -6.315 -4.862 1.00 53.53 O ATOM 60 CG2 THR A 4 -4.042 -8.579 -5.431 1.00 54.25 C ATOM 0 H THR A 4 -3.649 -4.698 -6.158 1.00 71.44 H new ATOM 0 HA THR A 4 -2.467 -7.297 -6.845 1.00 32.44 H new ATOM 0 HB THR A 4 -5.351 -7.307 -6.540 1.00 43.23 H new ATOM 0 HG1 THR A 4 -5.358 -6.681 -4.281 1.00 53.53 H new ATOM 0 HG21 THR A 4 -4.831 -8.958 -4.782 1.00 54.25 H new ATOM 0 HG22 THR A 4 -3.899 -9.264 -6.267 1.00 54.25 H new ATOM 0 HG23 THR A 4 -3.114 -8.499 -4.865 1.00 54.25 H new ATOM 68 N GLY A 5 -3.239 -7.352 -9.199 1.00 1.43 N ATOM 69 CA GLY A 5 -3.663 -7.377 -10.586 1.00 42.04 C ATOM 70 C GLY A 5 -3.640 -8.774 -11.174 1.00 41.02 C ATOM 71 O GLY A 5 -2.944 -9.656 -10.671 1.00 32.51 O ATOM 0 H GLY A 5 -2.444 -7.953 -8.983 1.00 1.43 H new ATOM 0 HA2 GLY A 5 -4.672 -6.971 -10.662 1.00 42.04 H new ATOM 0 HA3 GLY A 5 -3.013 -6.728 -11.173 1.00 42.04 H new ATOM 75 N LYS A 6 -4.404 -8.977 -12.242 1.00 62.41 N ATOM 76 CA LYS A 6 -4.470 -10.277 -12.900 1.00 2.01 C ATOM 77 C LYS A 6 -3.874 -10.208 -14.302 1.00 53.35 C ATOM 78 O LYS A 6 -3.966 -9.181 -14.977 1.00 24.42 O ATOM 79 CB LYS A 6 -5.920 -10.761 -12.973 1.00 64.52 C ATOM 80 CG LYS A 6 -6.451 -11.292 -11.653 1.00 12.31 C ATOM 81 CD LYS A 6 -7.872 -10.819 -11.394 1.00 22.04 C ATOM 82 CE LYS A 6 -8.700 -11.893 -10.705 1.00 23.21 C ATOM 83 NZ LYS A 6 -8.395 -11.980 -9.250 1.00 32.32 N ATOM 0 H LYS A 6 -4.986 -8.258 -12.671 1.00 62.41 H new ATOM 0 HA LYS A 6 -3.886 -10.985 -12.311 1.00 2.01 H new ATOM 0 HB2 LYS A 6 -6.553 -9.938 -13.305 1.00 64.52 H new ATOM 0 HB3 LYS A 6 -5.995 -11.545 -13.727 1.00 64.52 H new ATOM 0 HG2 LYS A 6 -6.425 -12.382 -11.661 1.00 12.31 H new ATOM 0 HG3 LYS A 6 -5.803 -10.963 -10.840 1.00 12.31 H new ATOM 0 HD2 LYS A 6 -7.851 -9.922 -10.776 1.00 22.04 H new ATOM 0 HD3 LYS A 6 -8.343 -10.545 -12.338 1.00 22.04 H new ATOM 0 HE2 LYS A 6 -9.760 -11.678 -10.842 1.00 23.21 H new ATOM 0 HE3 LYS A 6 -8.507 -12.857 -11.175 1.00 23.21 H new ATOM 0 HZ1 LYS A 6 -8.979 -12.723 -8.817 1.00 32.32 H new ATOM 0 HZ2 LYS A 6 -7.389 -12.210 -9.119 1.00 32.32 H new ATOM 0 HZ3 LYS A 6 -8.603 -11.067 -8.797 1.00 32.32 H new ATOM 97 N CYS A 7 -3.266 -11.306 -14.737 1.00 24.12 N ATOM 98 CA CYS A 7 -2.656 -11.371 -16.060 1.00 1.15 C ATOM 99 C CYS A 7 -3.195 -12.560 -16.849 1.00 63.41 C ATOM 100 O CYS A 7 -3.828 -13.456 -16.290 1.00 31.42 O ATOM 101 CB CYS A 7 -1.134 -11.472 -15.938 1.00 72.42 C ATOM 102 SG CYS A 7 -0.523 -13.163 -15.641 1.00 50.33 S ATOM 0 H CYS A 7 -3.182 -12.164 -14.192 1.00 24.12 H new ATOM 0 HA CYS A 7 -2.911 -10.457 -16.596 1.00 1.15 H new ATOM 0 HB2 CYS A 7 -0.681 -11.088 -16.852 1.00 72.42 H new ATOM 0 HB3 CYS A 7 -0.802 -10.829 -15.123 1.00 72.42 H new ATOM 107 N THR A 8 -2.939 -12.563 -18.154 1.00 5.33 N ATOM 108 CA THR A 8 -3.398 -13.640 -19.021 1.00 23.32 C ATOM 109 C THR A 8 -2.223 -14.357 -19.676 1.00 62.13 C ATOM 110 O THR A 8 -1.184 -13.752 -19.945 1.00 34.43 O ATOM 111 CB THR A 8 -4.341 -13.114 -20.119 1.00 61.41 C ATOM 112 OG1 THR A 8 -4.690 -11.751 -19.853 1.00 74.44 O ATOM 113 CG2 THR A 8 -5.603 -13.960 -20.199 1.00 63.35 C ATOM 0 H THR A 8 -2.416 -11.830 -18.633 1.00 5.33 H new ATOM 0 HA THR A 8 -3.943 -14.343 -18.391 1.00 23.32 H new ATOM 0 HB THR A 8 -3.820 -13.175 -21.075 1.00 61.41 H new ATOM 0 HG1 THR A 8 -5.664 -11.649 -19.893 1.00 74.44 H new ATOM 0 HG21 THR A 8 -6.254 -13.570 -20.981 1.00 63.35 H new ATOM 0 HG22 THR A 8 -5.336 -14.991 -20.430 1.00 63.35 H new ATOM 0 HG23 THR A 8 -6.125 -13.926 -19.243 1.00 63.35 H new ATOM 121 N LYS A 9 -2.393 -15.650 -19.933 1.00 2.42 N ATOM 122 CA LYS A 9 -1.347 -16.450 -20.559 1.00 53.13 C ATOM 123 C LYS A 9 -1.279 -16.178 -22.059 1.00 20.13 C ATOM 124 O LYS A 9 -0.249 -16.405 -22.694 1.00 12.42 O ATOM 125 CB LYS A 9 -1.598 -17.939 -20.311 1.00 54.10 C ATOM 126 CG LYS A 9 -2.736 -18.510 -21.140 1.00 22.43 C ATOM 127 CD LYS A 9 -2.834 -20.019 -20.987 1.00 11.14 C ATOM 128 CE LYS A 9 -1.596 -20.716 -21.529 1.00 22.10 C ATOM 129 NZ LYS A 9 -1.312 -20.326 -22.938 1.00 73.30 N ATOM 0 H LYS A 9 -3.246 -16.166 -19.717 1.00 2.42 H new ATOM 0 HA LYS A 9 -0.393 -16.169 -20.113 1.00 53.13 H new ATOM 0 HB2 LYS A 9 -0.686 -18.494 -20.530 1.00 54.10 H new ATOM 0 HB3 LYS A 9 -1.818 -18.091 -19.254 1.00 54.10 H new ATOM 0 HG2 LYS A 9 -3.676 -18.050 -20.835 1.00 22.43 H new ATOM 0 HG3 LYS A 9 -2.585 -18.259 -22.190 1.00 22.43 H new ATOM 0 HD2 LYS A 9 -2.963 -20.271 -19.935 1.00 11.14 H new ATOM 0 HD3 LYS A 9 -3.717 -20.382 -21.513 1.00 11.14 H new ATOM 0 HE2 LYS A 9 -0.738 -20.470 -20.904 1.00 22.10 H new ATOM 0 HE3 LYS A 9 -1.733 -21.796 -21.472 1.00 22.10 H new ATOM 0 HZ1 LYS A 9 -0.632 -20.994 -23.353 1.00 73.30 H new ATOM 0 HZ2 LYS A 9 -2.195 -20.344 -23.488 1.00 73.30 H new ATOM 0 HZ3 LYS A 9 -0.911 -19.367 -22.959 1.00 73.30 H new ATOM 143 N SER A 10 -2.382 -15.690 -22.618 1.00 23.20 N ATOM 144 CA SER A 10 -2.447 -15.390 -24.043 1.00 51.34 C ATOM 145 C SER A 10 -1.739 -14.074 -24.354 1.00 74.43 C ATOM 146 O SER A 10 -0.943 -13.990 -25.290 1.00 14.32 O ATOM 147 CB SER A 10 -3.904 -15.320 -24.505 1.00 10.50 C ATOM 148 OG SER A 10 -4.411 -16.611 -24.792 1.00 63.34 O ATOM 0 H SER A 10 -3.242 -15.494 -22.106 1.00 23.20 H new ATOM 0 HA SER A 10 -1.941 -16.191 -24.581 1.00 51.34 H new ATOM 0 HB2 SER A 10 -4.512 -14.851 -23.731 1.00 10.50 H new ATOM 0 HB3 SER A 10 -3.977 -14.692 -25.393 1.00 10.50 H new ATOM 0 HG SER A 10 -5.344 -16.539 -25.083 1.00 63.34 H new ATOM 154 N LYS A 11 -2.035 -13.049 -23.563 1.00 34.13 N ATOM 155 CA LYS A 11 -1.428 -11.737 -23.750 1.00 51.23 C ATOM 156 C LYS A 11 -0.187 -11.582 -22.877 1.00 13.43 C ATOM 157 O LYS A 11 0.596 -10.650 -23.055 1.00 51.10 O ATOM 158 CB LYS A 11 -2.437 -10.634 -23.422 1.00 41.34 C ATOM 159 CG LYS A 11 -3.065 -10.774 -22.047 1.00 15.43 C ATOM 160 CD LYS A 11 -3.515 -9.429 -21.500 1.00 31.22 C ATOM 161 CE LYS A 11 -5.025 -9.267 -21.591 1.00 44.23 C ATOM 162 NZ LYS A 11 -5.433 -8.581 -22.848 1.00 75.03 N ATOM 0 H LYS A 11 -2.693 -13.102 -22.785 1.00 34.13 H new ATOM 0 HA LYS A 11 -1.129 -11.648 -24.794 1.00 51.23 H new ATOM 0 HB2 LYS A 11 -1.939 -9.667 -23.488 1.00 41.34 H new ATOM 0 HB3 LYS A 11 -3.225 -10.639 -24.175 1.00 41.34 H new ATOM 0 HG2 LYS A 11 -3.919 -11.449 -22.103 1.00 15.43 H new ATOM 0 HG3 LYS A 11 -2.347 -11.225 -21.362 1.00 15.43 H new ATOM 0 HD2 LYS A 11 -3.200 -9.334 -20.461 1.00 31.22 H new ATOM 0 HD3 LYS A 11 -3.028 -8.628 -22.056 1.00 31.22 H new ATOM 0 HE2 LYS A 11 -5.499 -10.247 -21.541 1.00 44.23 H new ATOM 0 HE3 LYS A 11 -5.382 -8.697 -20.733 1.00 44.23 H new ATOM 0 HZ1 LYS A 11 -6.469 -8.489 -22.873 1.00 75.03 H new ATOM 0 HZ2 LYS A 11 -5.001 -7.636 -22.884 1.00 75.03 H new ATOM 0 HZ3 LYS A 11 -5.115 -9.138 -23.667 1.00 75.03 H new ATOM 176 N ASN A 12 -0.015 -12.502 -21.933 1.00 44.42 N ATOM 177 CA ASN A 12 1.132 -12.467 -21.033 1.00 1.24 C ATOM 178 C ASN A 12 1.296 -11.082 -20.414 1.00 10.11 C ATOM 179 O ASN A 12 2.414 -10.631 -20.165 1.00 73.41 O ATOM 180 CB ASN A 12 2.408 -12.857 -21.782 1.00 74.11 C ATOM 181 CG ASN A 12 3.209 -13.914 -21.047 1.00 64.14 C ATOM 182 OD1 ASN A 12 2.777 -15.060 -20.920 1.00 43.21 O ATOM 183 ND2 ASN A 12 4.384 -13.532 -20.559 1.00 70.54 N ATOM 0 H ASN A 12 -0.655 -13.280 -21.772 1.00 44.42 H new ATOM 0 HA ASN A 12 0.955 -13.185 -20.232 1.00 1.24 H new ATOM 0 HB2 ASN A 12 2.146 -13.228 -22.773 1.00 74.11 H new ATOM 0 HB3 ASN A 12 3.027 -11.971 -21.926 1.00 74.11 H new ATOM 0 HD21 ASN A 12 4.968 -14.199 -20.055 1.00 70.54 H new ATOM 0 HD22 ASN A 12 4.702 -12.571 -20.688 1.00 70.54 H new ATOM 190 N GLU A 13 0.174 -10.413 -20.168 1.00 52.10 N ATOM 191 CA GLU A 13 0.194 -9.079 -19.579 1.00 31.34 C ATOM 192 C GLU A 13 -0.709 -9.014 -18.350 1.00 4.02 C ATOM 193 O GLU A 13 -1.788 -9.607 -18.326 1.00 4.15 O ATOM 194 CB GLU A 13 -0.250 -8.036 -20.607 1.00 24.44 C ATOM 195 CG GLU A 13 -0.146 -6.606 -20.106 1.00 10.43 C ATOM 196 CD GLU A 13 -1.054 -5.656 -20.862 1.00 13.41 C ATOM 197 OE1 GLU A 13 -2.281 -5.888 -20.871 1.00 51.02 O ATOM 198 OE2 GLU A 13 -0.537 -4.679 -21.444 1.00 74.13 O ATOM 0 H GLU A 13 -0.760 -10.772 -20.367 1.00 52.10 H new ATOM 0 HA GLU A 13 1.216 -8.861 -19.270 1.00 31.34 H new ATOM 0 HB2 GLU A 13 0.357 -8.142 -21.506 1.00 24.44 H new ATOM 0 HB3 GLU A 13 -1.282 -8.237 -20.894 1.00 24.44 H new ATOM 0 HG2 GLU A 13 -0.398 -6.577 -19.046 1.00 10.43 H new ATOM 0 HG3 GLU A 13 0.886 -6.267 -20.198 1.00 10.43 H new ATOM 205 N CYS A 14 -0.259 -8.290 -17.331 1.00 1.44 N ATOM 206 CA CYS A 14 -1.023 -8.146 -16.097 1.00 72.35 C ATOM 207 C CYS A 14 -1.769 -6.815 -16.071 1.00 45.00 C ATOM 208 O CYS A 14 -1.445 -5.894 -16.821 1.00 45.02 O ATOM 209 CB CYS A 14 -0.097 -8.249 -14.884 1.00 32.10 C ATOM 210 SG CYS A 14 -0.936 -8.760 -13.350 1.00 20.42 S ATOM 0 H CYS A 14 0.632 -7.793 -17.335 1.00 1.44 H new ATOM 0 HA CYS A 14 -1.755 -8.953 -16.056 1.00 72.35 H new ATOM 0 HB2 CYS A 14 0.697 -8.962 -15.106 1.00 32.10 H new ATOM 0 HB3 CYS A 14 0.379 -7.282 -14.720 1.00 32.10 H new ATOM 215 N LYS A 15 -2.769 -6.721 -15.202 1.00 2.54 N ATOM 216 CA LYS A 15 -3.560 -5.503 -15.075 1.00 13.45 C ATOM 217 C LYS A 15 -3.981 -5.276 -13.626 1.00 3.50 C ATOM 218 O LYS A 15 -4.623 -6.130 -13.015 1.00 4.15 O ATOM 219 CB LYS A 15 -4.799 -5.579 -15.970 1.00 61.11 C ATOM 220 CG LYS A 15 -5.680 -4.344 -15.896 1.00 70.13 C ATOM 221 CD LYS A 15 -6.731 -4.473 -14.807 1.00 30.25 C ATOM 222 CE LYS A 15 -6.894 -3.174 -14.033 1.00 12.12 C ATOM 223 NZ LYS A 15 -8.323 -2.885 -13.728 1.00 70.34 N ATOM 0 H LYS A 15 -3.051 -7.474 -14.575 1.00 2.54 H new ATOM 0 HA LYS A 15 -2.941 -4.664 -15.392 1.00 13.45 H new ATOM 0 HB2 LYS A 15 -4.482 -5.728 -17.002 1.00 61.11 H new ATOM 0 HB3 LYS A 15 -5.387 -6.452 -15.688 1.00 61.11 H new ATOM 0 HG2 LYS A 15 -5.062 -3.466 -15.705 1.00 70.13 H new ATOM 0 HG3 LYS A 15 -6.169 -4.186 -16.858 1.00 70.13 H new ATOM 0 HD2 LYS A 15 -7.685 -4.755 -15.252 1.00 30.25 H new ATOM 0 HD3 LYS A 15 -6.450 -5.273 -14.122 1.00 30.25 H new ATOM 0 HE2 LYS A 15 -6.329 -3.232 -13.103 1.00 12.12 H new ATOM 0 HE3 LYS A 15 -6.473 -2.352 -14.611 1.00 12.12 H new ATOM 0 HZ1 LYS A 15 -8.401 -1.945 -13.291 1.00 70.34 H new ATOM 0 HZ2 LYS A 15 -8.877 -2.905 -14.608 1.00 70.34 H new ATOM 0 HZ3 LYS A 15 -8.690 -3.604 -13.072 1.00 70.34 H new ATOM 237 N TYR A 16 -3.616 -4.119 -13.083 1.00 70.24 N ATOM 238 CA TYR A 16 -3.955 -3.781 -11.706 1.00 43.43 C ATOM 239 C TYR A 16 -4.497 -2.358 -11.613 1.00 2.43 C ATOM 240 O TYR A 16 -4.335 -1.557 -12.534 1.00 14.43 O ATOM 241 CB TYR A 16 -2.728 -3.931 -10.805 1.00 63.04 C ATOM 242 CG TYR A 16 -1.674 -2.872 -11.036 1.00 45.03 C ATOM 243 CD1 TYR A 16 -0.674 -3.054 -11.985 1.00 15.32 C ATOM 244 CD2 TYR A 16 -1.676 -1.690 -10.306 1.00 23.35 C ATOM 245 CE1 TYR A 16 0.291 -2.089 -12.199 1.00 23.32 C ATOM 246 CE2 TYR A 16 -0.715 -0.720 -10.514 1.00 0.12 C ATOM 247 CZ TYR A 16 0.266 -0.924 -11.461 1.00 45.03 C ATOM 248 OH TYR A 16 1.226 0.040 -11.671 1.00 22.32 O ATOM 0 H TYR A 16 -3.086 -3.400 -13.576 1.00 70.24 H new ATOM 0 HA TYR A 16 -4.731 -4.469 -11.370 1.00 43.43 H new ATOM 0 HB2 TYR A 16 -3.046 -3.894 -9.763 1.00 63.04 H new ATOM 0 HB3 TYR A 16 -2.286 -4.914 -10.968 1.00 63.04 H new ATOM 0 HD1 TYR A 16 -0.651 -3.965 -12.564 1.00 15.32 H new ATOM 0 HD2 TYR A 16 -2.442 -1.527 -9.563 1.00 23.35 H new ATOM 0 HE1 TYR A 16 1.061 -2.246 -12.940 1.00 23.32 H new ATOM 0 HE2 TYR A 16 -0.732 0.193 -9.938 1.00 0.12 H new ATOM 0 HH TYR A 16 1.065 0.798 -11.071 1.00 22.32 H new ATOM 258 N LYS A 17 -5.141 -2.049 -10.492 1.00 62.41 N ATOM 259 CA LYS A 17 -5.706 -0.723 -10.274 1.00 34.30 C ATOM 260 C LYS A 17 -4.920 0.035 -9.210 1.00 1.32 C ATOM 261 O LYS A 17 -4.754 -0.443 -8.089 1.00 20.14 O ATOM 262 CB LYS A 17 -7.174 -0.835 -9.856 1.00 13.22 C ATOM 263 CG LYS A 17 -8.151 -0.510 -10.972 1.00 52.15 C ATOM 264 CD LYS A 17 -9.458 -1.267 -10.808 1.00 33.12 C ATOM 265 CE LYS A 17 -10.458 -0.896 -11.892 1.00 51.51 C ATOM 266 NZ LYS A 17 -11.864 -1.010 -11.413 1.00 64.04 N ATOM 0 H LYS A 17 -5.284 -2.700 -9.720 1.00 62.41 H new ATOM 0 HA LYS A 17 -5.642 -0.169 -11.211 1.00 34.30 H new ATOM 0 HB2 LYS A 17 -7.365 -1.847 -9.500 1.00 13.22 H new ATOM 0 HB3 LYS A 17 -7.357 -0.163 -9.018 1.00 13.22 H new ATOM 0 HG2 LYS A 17 -8.349 0.562 -10.982 1.00 52.15 H new ATOM 0 HG3 LYS A 17 -7.703 -0.761 -11.933 1.00 52.15 H new ATOM 0 HD2 LYS A 17 -9.265 -2.339 -10.841 1.00 33.12 H new ATOM 0 HD3 LYS A 17 -9.885 -1.050 -9.829 1.00 33.12 H new ATOM 0 HE2 LYS A 17 -10.270 0.124 -12.226 1.00 51.51 H new ATOM 0 HE3 LYS A 17 -10.315 -1.545 -12.756 1.00 51.51 H new ATOM 0 HZ1 LYS A 17 -12.515 -0.749 -12.181 1.00 64.04 H new ATOM 0 HZ2 LYS A 17 -12.052 -1.989 -11.118 1.00 64.04 H new ATOM 0 HZ3 LYS A 17 -12.008 -0.372 -10.605 1.00 64.04 H new ATOM 280 N ASN A 18 -4.439 1.221 -9.569 1.00 10.22 N ATOM 281 CA ASN A 18 -3.671 2.046 -8.644 1.00 3.33 C ATOM 282 C ASN A 18 -4.590 2.745 -7.646 1.00 25.42 C ATOM 283 O ASN A 18 -5.813 2.628 -7.726 1.00 25.25 O ATOM 284 CB ASN A 18 -2.852 3.085 -9.413 1.00 60.12 C ATOM 285 CG ASN A 18 -3.725 4.028 -10.219 1.00 62.51 C ATOM 286 OD1 ASN A 18 -4.952 3.975 -10.140 1.00 72.02 O ATOM 287 ND2 ASN A 18 -3.093 4.896 -11.000 1.00 51.13 N ATOM 0 H ASN A 18 -4.568 1.632 -10.494 1.00 10.22 H new ATOM 0 HA ASN A 18 -2.993 1.394 -8.093 1.00 3.33 H new ATOM 0 HB2 ASN A 18 -2.251 3.662 -8.711 1.00 60.12 H new ATOM 0 HB3 ASN A 18 -2.159 2.575 -10.082 1.00 60.12 H new ATOM 0 HD21 ASN A 18 -3.627 5.555 -11.566 1.00 51.13 H new ATOM 0 HD22 ASN A 18 -2.074 4.904 -11.034 1.00 51.13 H new ATOM 294 N ASP A 19 -3.992 3.470 -6.707 1.00 42.54 N ATOM 295 CA ASP A 19 -4.756 4.189 -5.694 1.00 41.45 C ATOM 296 C ASP A 19 -5.733 5.166 -6.342 1.00 62.10 C ATOM 297 O ASP A 19 -6.741 5.540 -5.743 1.00 63.31 O ATOM 298 CB ASP A 19 -3.814 4.941 -4.752 1.00 61.53 C ATOM 299 CG ASP A 19 -4.398 5.111 -3.364 1.00 35.01 C ATOM 300 OD1 ASP A 19 -5.592 5.464 -3.262 1.00 42.04 O ATOM 301 OD2 ASP A 19 -3.662 4.892 -2.379 1.00 14.22 O ATOM 0 H ASP A 19 -2.981 3.575 -6.626 1.00 42.54 H new ATOM 0 HA ASP A 19 -5.326 3.460 -5.119 1.00 41.45 H new ATOM 0 HB2 ASP A 19 -2.869 4.403 -4.682 1.00 61.53 H new ATOM 0 HB3 ASP A 19 -3.592 5.922 -5.172 1.00 61.53 H new ATOM 306 N ALA A 20 -5.426 5.576 -7.568 1.00 71.25 N ATOM 307 CA ALA A 20 -6.277 6.508 -8.297 1.00 72.15 C ATOM 308 C ALA A 20 -7.555 5.826 -8.775 1.00 41.22 C ATOM 309 O ALA A 20 -8.511 6.489 -9.175 1.00 34.40 O ATOM 310 CB ALA A 20 -5.521 7.102 -9.477 1.00 21.53 C ATOM 0 H ALA A 20 -4.594 5.277 -8.077 1.00 71.25 H new ATOM 0 HA ALA A 20 -6.557 7.312 -7.617 1.00 72.15 H new ATOM 0 HB1 ALA A 20 -6.169 7.796 -10.012 1.00 21.53 H new ATOM 0 HB2 ALA A 20 -4.641 7.633 -9.115 1.00 21.53 H new ATOM 0 HB3 ALA A 20 -5.211 6.303 -10.150 1.00 21.53 H new ATOM 316 N GLY A 21 -7.563 4.497 -8.731 1.00 52.24 N ATOM 317 CA GLY A 21 -8.729 3.748 -9.164 1.00 4.15 C ATOM 318 C GLY A 21 -8.680 3.400 -10.638 1.00 51.21 C ATOM 319 O GLY A 21 -9.451 2.565 -11.113 1.00 5.23 O ATOM 0 H GLY A 21 -6.784 3.926 -8.404 1.00 52.24 H new ATOM 0 HA2 GLY A 21 -8.805 2.831 -8.580 1.00 4.15 H new ATOM 0 HA3 GLY A 21 -9.627 4.331 -8.961 1.00 4.15 H new ATOM 323 N LYS A 22 -7.773 4.043 -11.366 1.00 74.44 N ATOM 324 CA LYS A 22 -7.627 3.798 -12.796 1.00 64.23 C ATOM 325 C LYS A 22 -7.047 2.411 -13.054 1.00 71.42 C ATOM 326 O LYS A 22 -6.285 1.885 -12.242 1.00 54.12 O ATOM 327 CB LYS A 22 -6.727 4.863 -13.427 1.00 53.33 C ATOM 328 CG LYS A 22 -7.469 6.127 -13.826 1.00 13.35 C ATOM 329 CD LYS A 22 -6.520 7.187 -14.359 1.00 64.31 C ATOM 330 CE LYS A 22 -6.957 8.585 -13.949 1.00 23.42 C ATOM 331 NZ LYS A 22 -6.487 9.618 -14.913 1.00 23.14 N ATOM 0 H LYS A 22 -7.128 4.738 -10.989 1.00 74.44 H new ATOM 0 HA LYS A 22 -8.616 3.850 -13.251 1.00 64.23 H new ATOM 0 HB2 LYS A 22 -5.937 5.123 -12.723 1.00 53.33 H new ATOM 0 HB3 LYS A 22 -6.243 4.442 -14.308 1.00 53.33 H new ATOM 0 HG2 LYS A 22 -8.213 5.888 -14.586 1.00 13.35 H new ATOM 0 HG3 LYS A 22 -8.008 6.521 -12.964 1.00 13.35 H new ATOM 0 HD2 LYS A 22 -5.514 6.996 -13.987 1.00 64.31 H new ATOM 0 HD3 LYS A 22 -6.475 7.123 -15.446 1.00 64.31 H new ATOM 0 HE2 LYS A 22 -8.044 8.620 -13.880 1.00 23.42 H new ATOM 0 HE3 LYS A 22 -6.568 8.811 -12.956 1.00 23.42 H new ATOM 0 HZ1 LYS A 22 -6.805 10.557 -14.598 1.00 23.14 H new ATOM 0 HZ2 LYS A 22 -5.448 9.602 -14.960 1.00 23.14 H new ATOM 0 HZ3 LYS A 22 -6.879 9.418 -15.855 1.00 23.14 H new ATOM 345 N ASP A 23 -7.411 1.824 -14.189 1.00 35.11 N ATOM 346 CA ASP A 23 -6.925 0.499 -14.555 1.00 35.42 C ATOM 347 C ASP A 23 -5.644 0.597 -15.376 1.00 4.51 C ATOM 348 O ASP A 23 -5.623 1.209 -16.445 1.00 30.03 O ATOM 349 CB ASP A 23 -7.994 -0.260 -15.344 1.00 1.03 C ATOM 350 CG ASP A 23 -8.607 0.582 -16.446 1.00 22.25 C ATOM 351 OD1 ASP A 23 -8.072 0.563 -17.574 1.00 74.43 O ATOM 352 OD2 ASP A 23 -9.621 1.259 -16.179 1.00 54.14 O ATOM 0 H ASP A 23 -8.041 2.245 -14.872 1.00 35.11 H new ATOM 0 HA ASP A 23 -6.706 -0.046 -13.637 1.00 35.42 H new ATOM 0 HB2 ASP A 23 -7.552 -1.157 -15.779 1.00 1.03 H new ATOM 0 HB3 ASP A 23 -8.779 -0.589 -14.663 1.00 1.03 H new ATOM 357 N THR A 24 -4.574 -0.008 -14.869 1.00 2.41 N ATOM 358 CA THR A 24 -3.287 0.014 -15.554 1.00 14.05 C ATOM 359 C THR A 24 -2.830 -1.396 -15.908 1.00 63.14 C ATOM 360 O THR A 24 -2.781 -2.278 -15.051 1.00 20.12 O ATOM 361 CB THR A 24 -2.204 0.692 -14.693 1.00 33.41 C ATOM 362 OG1 THR A 24 -2.757 1.824 -14.013 1.00 3.13 O ATOM 363 CG2 THR A 24 -1.029 1.133 -15.552 1.00 3.25 C ATOM 0 H THR A 24 -4.573 -0.519 -13.986 1.00 2.41 H new ATOM 0 HA THR A 24 -3.425 0.589 -16.470 1.00 14.05 H new ATOM 0 HB THR A 24 -1.846 -0.032 -13.960 1.00 33.41 H new ATOM 0 HG1 THR A 24 -2.063 2.248 -13.467 1.00 3.13 H new ATOM 0 HG21 THR A 24 -0.277 1.609 -14.923 1.00 3.25 H new ATOM 0 HG22 THR A 24 -0.593 0.264 -16.045 1.00 3.25 H new ATOM 0 HG23 THR A 24 -1.374 1.842 -16.304 1.00 3.25 H new ATOM 371 N PHE A 25 -2.494 -1.602 -17.178 1.00 32.34 N ATOM 372 CA PHE A 25 -2.040 -2.907 -17.646 1.00 52.41 C ATOM 373 C PHE A 25 -0.566 -2.861 -18.038 1.00 12.11 C ATOM 374 O PHE A 25 -0.140 -1.983 -18.789 1.00 63.20 O ATOM 375 CB PHE A 25 -2.882 -3.365 -18.838 1.00 75.33 C ATOM 376 CG PHE A 25 -3.130 -2.282 -19.849 1.00 74.52 C ATOM 377 CD1 PHE A 25 -2.193 -2.006 -20.832 1.00 12.03 C ATOM 378 CD2 PHE A 25 -4.301 -1.541 -19.818 1.00 23.55 C ATOM 379 CE1 PHE A 25 -2.419 -1.010 -21.762 1.00 44.55 C ATOM 380 CE2 PHE A 25 -4.532 -0.544 -20.746 1.00 62.01 C ATOM 381 CZ PHE A 25 -3.590 -0.279 -21.720 1.00 42.55 C ATOM 0 H PHE A 25 -2.528 -0.883 -17.900 1.00 32.34 H new ATOM 0 HA PHE A 25 -2.159 -3.620 -16.830 1.00 52.41 H new ATOM 0 HB2 PHE A 25 -2.380 -4.200 -19.327 1.00 75.33 H new ATOM 0 HB3 PHE A 25 -3.840 -3.738 -18.474 1.00 75.33 H new ATOM 0 HD1 PHE A 25 -1.276 -2.576 -20.871 1.00 12.03 H new ATOM 0 HD2 PHE A 25 -5.042 -1.746 -19.059 1.00 23.55 H new ATOM 0 HE1 PHE A 25 -1.680 -0.803 -22.522 1.00 44.55 H new ATOM 0 HE2 PHE A 25 -5.448 0.027 -20.710 1.00 62.01 H new ATOM 0 HZ PHE A 25 -3.769 0.499 -22.448 1.00 42.55 H new ATOM 391 N ILE A 26 0.206 -3.812 -17.523 1.00 42.43 N ATOM 392 CA ILE A 26 1.632 -3.881 -17.819 1.00 52.53 C ATOM 393 C ILE A 26 2.038 -5.288 -18.242 1.00 21.33 C ATOM 394 O ILE A 26 1.512 -6.278 -17.732 1.00 4.14 O ATOM 395 CB ILE A 26 2.480 -3.456 -16.606 1.00 11.11 C ATOM 396 CG1 ILE A 26 3.938 -3.252 -17.022 1.00 22.03 C ATOM 397 CG2 ILE A 26 2.379 -4.495 -15.500 1.00 22.35 C ATOM 398 CD1 ILE A 26 4.501 -1.908 -16.614 1.00 33.44 C ATOM 0 H ILE A 26 -0.132 -4.545 -16.899 1.00 42.43 H new ATOM 0 HA ILE A 26 1.818 -3.190 -18.641 1.00 52.53 H new ATOM 0 HB ILE A 26 2.095 -2.510 -16.225 1.00 11.11 H new ATOM 0 HG12 ILE A 26 4.547 -4.041 -16.581 1.00 22.03 H new ATOM 0 HG13 ILE A 26 4.017 -3.356 -18.104 1.00 22.03 H new ATOM 0 HG21 ILE A 26 2.984 -4.181 -14.649 1.00 22.35 H new ATOM 0 HG22 ILE A 26 1.339 -4.595 -15.189 1.00 22.35 H new ATOM 0 HG23 ILE A 26 2.742 -5.455 -15.868 1.00 22.35 H new ATOM 0 HD11 ILE A 26 5.538 -1.833 -16.941 1.00 33.44 H new ATOM 0 HD12 ILE A 26 3.916 -1.113 -17.077 1.00 33.44 H new ATOM 0 HD13 ILE A 26 4.455 -1.808 -15.530 1.00 33.44 H new ATOM 410 N LYS A 27 2.979 -5.371 -19.176 1.00 70.23 N ATOM 411 CA LYS A 27 3.460 -6.657 -19.666 1.00 71.45 C ATOM 412 C LYS A 27 4.188 -7.422 -18.565 1.00 42.44 C ATOM 413 O LYS A 27 4.804 -6.823 -17.683 1.00 44.23 O ATOM 414 CB LYS A 27 4.392 -6.454 -20.863 1.00 60.21 C ATOM 415 CG LYS A 27 5.406 -5.342 -20.662 1.00 43.40 C ATOM 416 CD LYS A 27 5.048 -4.107 -21.472 1.00 73.11 C ATOM 417 CE LYS A 27 6.124 -3.038 -21.364 1.00 40.24 C ATOM 418 NZ LYS A 27 7.471 -3.569 -21.713 1.00 73.23 N ATOM 0 H LYS A 27 3.424 -4.562 -19.609 1.00 70.23 H new ATOM 0 HA LYS A 27 2.597 -7.243 -19.981 1.00 71.45 H new ATOM 0 HB2 LYS A 27 4.922 -7.386 -21.063 1.00 60.21 H new ATOM 0 HB3 LYS A 27 3.793 -6.233 -21.746 1.00 60.21 H new ATOM 0 HG2 LYS A 27 5.458 -5.082 -19.605 1.00 43.40 H new ATOM 0 HG3 LYS A 27 6.396 -5.694 -20.952 1.00 43.40 H new ATOM 0 HD2 LYS A 27 4.912 -4.383 -22.518 1.00 73.11 H new ATOM 0 HD3 LYS A 27 4.097 -3.704 -21.122 1.00 73.11 H new ATOM 0 HE2 LYS A 27 5.878 -2.208 -22.026 1.00 40.24 H new ATOM 0 HE3 LYS A 27 6.142 -2.642 -20.349 1.00 40.24 H new ATOM 0 HZ1 LYS A 27 8.009 -2.841 -22.225 1.00 73.23 H new ATOM 0 HZ2 LYS A 27 7.979 -3.826 -20.843 1.00 73.23 H new ATOM 0 HZ3 LYS A 27 7.367 -4.411 -22.315 1.00 73.23 H new ATOM 432 N CYS A 28 4.115 -8.747 -18.623 1.00 73.12 N ATOM 433 CA CYS A 28 4.767 -9.594 -17.632 1.00 45.40 C ATOM 434 C CYS A 28 6.089 -10.138 -18.167 1.00 40.30 C ATOM 435 O CYS A 28 6.342 -10.148 -19.372 1.00 24.42 O ATOM 436 CB CYS A 28 3.850 -10.752 -17.236 1.00 15.21 C ATOM 437 SG CYS A 28 3.009 -10.521 -15.636 1.00 45.00 S ATOM 0 H CYS A 28 3.610 -9.258 -19.347 1.00 73.12 H new ATOM 0 HA CYS A 28 4.973 -8.986 -16.751 1.00 45.40 H new ATOM 0 HB2 CYS A 28 3.098 -10.888 -18.013 1.00 15.21 H new ATOM 0 HB3 CYS A 28 4.437 -11.669 -17.197 1.00 15.21 H new ATOM 442 N PRO A 29 6.952 -10.601 -17.251 1.00 3.21 N ATOM 443 CA PRO A 29 8.262 -11.156 -17.606 1.00 53.33 C ATOM 444 C PRO A 29 8.148 -12.498 -18.321 1.00 30.13 C ATOM 445 O PRO A 29 7.397 -13.377 -17.898 1.00 15.25 O ATOM 446 CB PRO A 29 8.954 -11.328 -16.252 1.00 14.32 C ATOM 447 CG PRO A 29 7.840 -11.470 -15.273 1.00 12.32 C ATOM 448 CD PRO A 29 6.716 -10.619 -15.797 1.00 63.05 C ATOM 0 HA PRO A 29 8.804 -10.511 -18.297 1.00 53.33 H new ATOM 0 HB2 PRO A 29 9.600 -12.206 -16.246 1.00 14.32 H new ATOM 0 HB3 PRO A 29 9.581 -10.469 -16.016 1.00 14.32 H new ATOM 0 HG2 PRO A 29 7.531 -12.511 -15.182 1.00 12.32 H new ATOM 0 HG3 PRO A 29 8.148 -11.141 -14.281 1.00 12.32 H new ATOM 0 HD2 PRO A 29 5.742 -11.044 -15.553 1.00 63.05 H new ATOM 0 HD3 PRO A 29 6.741 -9.615 -15.373 1.00 63.05 H new ATOM 456 N LYS A 30 8.899 -12.651 -19.406 1.00 52.12 N ATOM 457 CA LYS A 30 8.884 -13.887 -20.179 1.00 43.03 C ATOM 458 C LYS A 30 9.925 -14.870 -19.653 1.00 32.31 C ATOM 459 O LYS A 30 10.189 -15.901 -20.273 1.00 2.33 O ATOM 460 CB LYS A 30 9.148 -13.591 -21.657 1.00 64.35 C ATOM 461 CG LYS A 30 8.737 -14.721 -22.586 1.00 45.55 C ATOM 462 CD LYS A 30 7.991 -14.198 -23.803 1.00 22.42 C ATOM 463 CE LYS A 30 6.541 -13.879 -23.472 1.00 62.24 C ATOM 464 NZ LYS A 30 5.596 -14.617 -24.356 1.00 11.33 N ATOM 0 H LYS A 30 9.526 -11.934 -19.770 1.00 52.12 H new ATOM 0 HA LYS A 30 7.898 -14.339 -20.076 1.00 43.03 H new ATOM 0 HB2 LYS A 30 8.610 -12.686 -21.939 1.00 64.35 H new ATOM 0 HB3 LYS A 30 10.210 -13.387 -21.794 1.00 64.35 H new ATOM 0 HG2 LYS A 30 9.623 -15.269 -22.908 1.00 45.55 H new ATOM 0 HG3 LYS A 30 8.105 -15.426 -22.046 1.00 45.55 H new ATOM 0 HD2 LYS A 30 8.486 -13.302 -24.177 1.00 22.42 H new ATOM 0 HD3 LYS A 30 8.029 -14.940 -24.601 1.00 22.42 H new ATOM 0 HE2 LYS A 30 6.341 -14.135 -22.432 1.00 62.24 H new ATOM 0 HE3 LYS A 30 6.372 -12.807 -23.574 1.00 62.24 H new ATOM 0 HZ1 LYS A 30 4.618 -14.373 -24.099 1.00 11.33 H new ATOM 0 HZ2 LYS A 30 5.770 -14.353 -25.347 1.00 11.33 H new ATOM 0 HZ3 LYS A 30 5.739 -15.640 -24.240 1.00 11.33 H new ATOM 478 N PHE A 31 10.511 -14.546 -18.505 1.00 63.13 N ATOM 479 CA PHE A 31 11.523 -15.401 -17.895 1.00 73.43 C ATOM 480 C PHE A 31 10.877 -16.596 -17.199 1.00 12.53 C ATOM 481 O PHE A 31 9.780 -16.489 -16.649 1.00 42.22 O ATOM 482 CB PHE A 31 12.359 -14.603 -16.893 1.00 62.22 C ATOM 483 CG PHE A 31 13.648 -14.086 -17.466 1.00 14.52 C ATOM 484 CD1 PHE A 31 13.648 -13.301 -18.608 1.00 13.11 C ATOM 485 CD2 PHE A 31 14.859 -14.383 -16.862 1.00 14.12 C ATOM 486 CE1 PHE A 31 14.832 -12.824 -19.137 1.00 70.12 C ATOM 487 CE2 PHE A 31 16.046 -13.908 -17.386 1.00 61.54 C ATOM 488 CZ PHE A 31 16.033 -13.127 -18.525 1.00 75.11 C ATOM 0 H PHE A 31 10.303 -13.698 -17.978 1.00 63.13 H new ATOM 0 HA PHE A 31 12.175 -15.772 -18.686 1.00 73.43 H new ATOM 0 HB2 PHE A 31 11.769 -13.762 -16.528 1.00 62.22 H new ATOM 0 HB3 PHE A 31 12.580 -15.234 -16.032 1.00 62.22 H new ATOM 0 HD1 PHE A 31 12.712 -13.059 -19.090 1.00 13.11 H new ATOM 0 HD2 PHE A 31 14.875 -14.993 -15.971 1.00 14.12 H new ATOM 0 HE1 PHE A 31 14.819 -12.215 -20.029 1.00 70.12 H new ATOM 0 HE2 PHE A 31 16.983 -14.147 -16.905 1.00 61.54 H new ATOM 0 HZ PHE A 31 16.959 -12.754 -18.936 1.00 75.11 H new ATOM 498 N ASP A 32 11.564 -17.732 -17.227 1.00 4.25 N ATOM 499 CA ASP A 32 11.059 -18.947 -16.598 1.00 2.22 C ATOM 500 C ASP A 32 10.858 -18.740 -15.100 1.00 24.33 C ATOM 501 O ASP A 32 10.130 -19.491 -14.452 1.00 51.31 O ATOM 502 CB ASP A 32 12.022 -20.110 -16.840 1.00 60.22 C ATOM 503 CG ASP A 32 11.722 -20.851 -18.129 1.00 4.32 C ATOM 504 OD1 ASP A 32 10.575 -21.315 -18.293 1.00 11.13 O ATOM 505 OD2 ASP A 32 12.636 -20.967 -18.973 1.00 13.21 O ATOM 0 H ASP A 32 12.472 -17.837 -17.679 1.00 4.25 H new ATOM 0 HA ASP A 32 10.094 -19.185 -17.046 1.00 2.22 H new ATOM 0 HB2 ASP A 32 13.044 -19.732 -16.871 1.00 60.22 H new ATOM 0 HB3 ASP A 32 11.965 -20.805 -16.003 1.00 60.22 H new ATOM 510 N ASN A 33 11.511 -17.718 -14.556 1.00 13.03 N ATOM 511 CA ASN A 33 11.405 -17.414 -13.133 1.00 40.33 C ATOM 512 C ASN A 33 10.021 -16.868 -12.795 1.00 70.11 C ATOM 513 O ASN A 33 9.507 -17.084 -11.697 1.00 60.45 O ATOM 514 CB ASN A 33 12.478 -16.402 -12.726 1.00 10.11 C ATOM 515 CG ASN A 33 12.869 -16.530 -11.266 1.00 61.13 C ATOM 516 OD1 ASN A 33 13.072 -17.634 -10.761 1.00 63.33 O ATOM 517 ND2 ASN A 33 12.976 -15.398 -10.581 1.00 10.31 N ATOM 0 H ASN A 33 12.119 -17.087 -15.078 1.00 13.03 H new ATOM 0 HA ASN A 33 11.557 -18.339 -12.577 1.00 40.33 H new ATOM 0 HB2 ASN A 33 13.361 -16.542 -13.349 1.00 10.11 H new ATOM 0 HB3 ASN A 33 12.112 -15.393 -12.914 1.00 10.11 H new ATOM 0 HD21 ASN A 33 13.236 -15.421 -9.595 1.00 10.31 H new ATOM 0 HD22 ASN A 33 12.798 -14.505 -11.041 1.00 10.31 H new ATOM 524 N LYS A 34 9.422 -16.160 -13.746 1.00 52.42 N ATOM 525 CA LYS A 34 8.096 -15.584 -13.552 1.00 4.32 C ATOM 526 C LYS A 34 7.407 -15.341 -14.891 1.00 1.34 C ATOM 527 O LYS A 34 7.949 -14.666 -15.767 1.00 21.25 O ATOM 528 CB LYS A 34 8.198 -14.271 -12.772 1.00 53.55 C ATOM 529 CG LYS A 34 8.224 -14.458 -11.265 1.00 62.15 C ATOM 530 CD LYS A 34 9.599 -14.161 -10.691 1.00 20.03 C ATOM 531 CE LYS A 34 9.794 -14.828 -9.338 1.00 34.23 C ATOM 532 NZ LYS A 34 10.671 -14.023 -8.443 1.00 62.55 N ATOM 0 H LYS A 34 9.834 -15.971 -14.660 1.00 52.42 H new ATOM 0 HA LYS A 34 7.498 -16.294 -12.980 1.00 4.32 H new ATOM 0 HB2 LYS A 34 9.102 -13.745 -13.080 1.00 53.55 H new ATOM 0 HB3 LYS A 34 7.353 -13.635 -13.036 1.00 53.55 H new ATOM 0 HG2 LYS A 34 7.486 -13.802 -10.803 1.00 62.15 H new ATOM 0 HG3 LYS A 34 7.939 -15.481 -11.019 1.00 62.15 H new ATOM 0 HD2 LYS A 34 10.366 -14.508 -11.383 1.00 20.03 H new ATOM 0 HD3 LYS A 34 9.727 -13.083 -10.588 1.00 20.03 H new ATOM 0 HE2 LYS A 34 8.824 -14.973 -8.862 1.00 34.23 H new ATOM 0 HE3 LYS A 34 10.230 -15.817 -9.480 1.00 34.23 H new ATOM 0 HZ1 LYS A 34 10.779 -14.512 -7.531 1.00 62.55 H new ATOM 0 HZ2 LYS A 34 11.605 -13.906 -8.886 1.00 62.55 H new ATOM 0 HZ3 LYS A 34 10.243 -13.088 -8.286 1.00 62.55 H new ATOM 546 N LYS A 35 6.208 -15.893 -15.043 1.00 23.25 N ATOM 547 CA LYS A 35 5.443 -15.735 -16.273 1.00 54.32 C ATOM 548 C LYS A 35 3.992 -16.162 -16.071 1.00 25.13 C ATOM 549 O LYS A 35 3.629 -16.679 -15.014 1.00 33.11 O ATOM 550 CB LYS A 35 6.074 -16.555 -17.400 1.00 45.44 C ATOM 551 CG LYS A 35 5.934 -18.055 -17.213 1.00 63.32 C ATOM 552 CD LYS A 35 6.068 -18.797 -18.533 1.00 2.23 C ATOM 553 CE LYS A 35 7.286 -19.708 -18.539 1.00 1.10 C ATOM 554 NZ LYS A 35 6.931 -21.111 -18.189 1.00 20.04 N ATOM 0 H LYS A 35 5.745 -16.454 -14.328 1.00 23.25 H new ATOM 0 HA LYS A 35 5.458 -14.680 -16.547 1.00 54.32 H new ATOM 0 HB2 LYS A 35 5.614 -16.271 -18.346 1.00 45.44 H new ATOM 0 HB3 LYS A 35 7.132 -16.304 -17.472 1.00 45.44 H new ATOM 0 HG2 LYS A 35 6.695 -18.408 -16.517 1.00 63.32 H new ATOM 0 HG3 LYS A 35 4.965 -18.278 -16.766 1.00 63.32 H new ATOM 0 HD2 LYS A 35 5.170 -19.388 -18.712 1.00 2.23 H new ATOM 0 HD3 LYS A 35 6.146 -18.079 -19.349 1.00 2.23 H new ATOM 0 HE2 LYS A 35 7.751 -19.686 -19.525 1.00 1.10 H new ATOM 0 HE3 LYS A 35 8.024 -19.332 -17.830 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 7.788 -21.700 -18.204 1.00 20.04 H new ATOM 0 HZ2 LYS A 35 6.510 -21.136 -17.238 1.00 20.04 H new ATOM 0 HZ3 LYS A 35 6.246 -21.479 -18.880 1.00 20.04 H new ATOM 568 N CYS A 36 3.168 -15.945 -17.090 1.00 44.51 N ATOM 569 CA CYS A 36 1.758 -16.308 -17.025 1.00 41.10 C ATOM 570 C CYS A 36 1.507 -17.640 -17.725 1.00 32.51 C ATOM 571 O CYS A 36 1.714 -17.770 -18.932 1.00 21.10 O ATOM 572 CB CYS A 36 0.898 -15.215 -17.662 1.00 42.42 C ATOM 573 SG CYS A 36 0.982 -13.609 -16.806 1.00 2.02 S ATOM 0 H CYS A 36 3.453 -15.519 -17.972 1.00 44.51 H new ATOM 0 HA CYS A 36 1.483 -16.411 -15.975 1.00 41.10 H new ATOM 0 HB2 CYS A 36 1.210 -15.079 -18.698 1.00 42.42 H new ATOM 0 HB3 CYS A 36 -0.139 -15.550 -17.683 1.00 42.42 H new ATOM 578 N THR A 37 1.058 -18.630 -16.959 1.00 4.05 N ATOM 579 CA THR A 37 0.779 -19.953 -17.503 1.00 45.44 C ATOM 580 C THR A 37 -0.712 -20.139 -17.758 1.00 41.02 C ATOM 581 O THR A 37 -1.111 -20.848 -18.682 1.00 42.03 O ATOM 582 CB THR A 37 1.270 -21.065 -16.557 1.00 41.24 C ATOM 583 OG1 THR A 37 0.973 -20.719 -15.200 1.00 23.52 O ATOM 584 CG2 THR A 37 2.767 -21.287 -16.714 1.00 32.11 C ATOM 0 H THR A 37 0.880 -18.540 -15.959 1.00 4.05 H new ATOM 0 HA THR A 37 1.318 -20.026 -18.447 1.00 45.44 H new ATOM 0 HB THR A 37 0.753 -21.989 -16.817 1.00 41.24 H new ATOM 0 HG1 THR A 37 1.287 -21.431 -14.605 1.00 23.52 H new ATOM 0 HG21 THR A 37 3.091 -22.077 -16.036 1.00 32.11 H new ATOM 0 HG22 THR A 37 2.986 -21.578 -17.741 1.00 32.11 H new ATOM 0 HG23 THR A 37 3.298 -20.365 -16.477 1.00 32.11 H new ATOM 592 N LYS A 38 -1.533 -19.498 -16.933 1.00 41.34 N ATOM 593 CA LYS A 38 -2.982 -19.591 -17.070 1.00 4.41 C ATOM 594 C LYS A 38 -3.605 -18.205 -17.205 1.00 73.21 C ATOM 595 O LYS A 38 -3.058 -17.217 -16.716 1.00 25.10 O ATOM 596 CB LYS A 38 -3.583 -20.317 -15.864 1.00 45.32 C ATOM 597 CG LYS A 38 -4.766 -21.202 -16.215 1.00 64.21 C ATOM 598 CD LYS A 38 -4.392 -22.674 -16.174 1.00 63.43 C ATOM 599 CE LYS A 38 -4.969 -23.362 -14.947 1.00 31.42 C ATOM 600 NZ LYS A 38 -4.397 -24.723 -14.753 1.00 24.30 N ATOM 0 H LYS A 38 -1.220 -18.908 -16.162 1.00 41.34 H new ATOM 0 HA LYS A 38 -3.201 -20.159 -17.974 1.00 4.41 H new ATOM 0 HB2 LYS A 38 -2.810 -20.926 -15.395 1.00 45.32 H new ATOM 0 HB3 LYS A 38 -3.898 -19.579 -15.126 1.00 45.32 H new ATOM 0 HG2 LYS A 38 -5.582 -21.013 -15.518 1.00 64.21 H new ATOM 0 HG3 LYS A 38 -5.131 -20.946 -17.210 1.00 64.21 H new ATOM 0 HD2 LYS A 38 -4.756 -23.168 -17.075 1.00 63.43 H new ATOM 0 HD3 LYS A 38 -3.307 -22.775 -16.172 1.00 63.43 H new ATOM 0 HE2 LYS A 38 -4.770 -22.755 -14.064 1.00 31.42 H new ATOM 0 HE3 LYS A 38 -6.052 -23.434 -15.047 1.00 31.42 H new ATOM 0 HZ1 LYS A 38 -4.816 -25.158 -13.906 1.00 24.30 H new ATOM 0 HZ2 LYS A 38 -4.608 -25.310 -15.585 1.00 24.30 H new ATOM 0 HZ3 LYS A 38 -3.366 -24.652 -14.632 1.00 24.30 H new ATOM 614 N ASP A 39 -4.754 -18.141 -17.870 1.00 5.21 N ATOM 615 CA ASP A 39 -5.453 -16.877 -18.067 1.00 11.51 C ATOM 616 C ASP A 39 -6.141 -16.430 -16.781 1.00 3.25 C ATOM 617 O ASP A 39 -6.491 -17.252 -15.935 1.00 1.42 O ATOM 618 CB ASP A 39 -6.482 -17.008 -19.191 1.00 33.33 C ATOM 619 CG ASP A 39 -7.399 -18.200 -18.999 1.00 71.42 C ATOM 620 OD1 ASP A 39 -8.456 -18.039 -18.353 1.00 2.10 O ATOM 621 OD2 ASP A 39 -7.061 -19.295 -19.496 1.00 44.43 O ATOM 0 H ASP A 39 -5.220 -18.950 -18.281 1.00 5.21 H new ATOM 0 HA ASP A 39 -4.717 -16.123 -18.345 1.00 11.51 H new ATOM 0 HB2 ASP A 39 -7.079 -16.098 -19.241 1.00 33.33 H new ATOM 0 HB3 ASP A 39 -5.964 -17.102 -20.145 1.00 33.33 H new ATOM 626 N ASN A 40 -6.329 -15.122 -16.640 1.00 55.30 N ATOM 627 CA ASN A 40 -6.974 -14.565 -15.456 1.00 24.32 C ATOM 628 C ASN A 40 -6.120 -14.798 -14.213 1.00 13.44 C ATOM 629 O ASN A 40 -6.590 -14.641 -13.087 1.00 13.54 O ATOM 630 CB ASN A 40 -8.357 -15.189 -15.262 1.00 14.40 C ATOM 631 CG ASN A 40 -9.212 -14.406 -14.284 1.00 53.11 C ATOM 632 OD1 ASN A 40 -9.773 -13.365 -14.628 1.00 30.15 O ATOM 633 ND2 ASN A 40 -9.315 -14.905 -13.058 1.00 14.33 N ATOM 0 H ASN A 40 -6.044 -14.428 -17.331 1.00 55.30 H new ATOM 0 HA ASN A 40 -7.085 -13.491 -15.604 1.00 24.32 H new ATOM 0 HB2 ASN A 40 -8.867 -15.243 -16.224 1.00 14.40 H new ATOM 0 HB3 ASN A 40 -8.244 -16.212 -14.904 1.00 14.40 H new ATOM 0 HD21 ASN A 40 -9.877 -14.423 -12.357 1.00 14.33 H new ATOM 0 HD22 ASN A 40 -8.832 -15.771 -12.818 1.00 14.33 H new ATOM 640 N ASN A 41 -4.863 -15.172 -14.426 1.00 71.10 N ATOM 641 CA ASN A 41 -3.943 -15.426 -13.323 1.00 34.10 C ATOM 642 C ASN A 41 -3.852 -14.214 -12.401 1.00 33.13 C ATOM 643 O ASN A 41 -4.490 -13.188 -12.640 1.00 22.31 O ATOM 644 CB ASN A 41 -2.555 -15.778 -13.860 1.00 43.11 C ATOM 645 CG ASN A 41 -2.195 -17.232 -13.625 1.00 32.33 C ATOM 646 OD1 ASN A 41 -1.322 -17.770 -14.468 1.00 42.32 O flip ATOM 647 ND2 ASN A 41 -2.697 -17.865 -12.695 1.00 43.44 N flip ATOM 0 H ASN A 41 -4.458 -15.306 -15.352 1.00 71.10 H new ATOM 0 HA ASN A 41 -4.327 -16.269 -12.749 1.00 34.10 H new ATOM 0 HB2 ASN A 41 -2.517 -15.565 -14.928 1.00 43.11 H new ATOM 0 HB3 ASN A 41 -1.811 -15.141 -13.382 1.00 43.11 H new ATOM 0 HD21 ASN A 41 -3.364 -17.411 -12.071 1.00 43.44 H new ATOM 0 HD22 ASN A 41 -2.445 -18.843 -12.549 1.00 43.44 H new ATOM 654 N LYS A 42 -3.055 -14.339 -11.346 1.00 24.35 N ATOM 655 CA LYS A 42 -2.877 -13.255 -10.387 1.00 41.21 C ATOM 656 C LYS A 42 -1.400 -12.911 -10.222 1.00 51.23 C ATOM 657 O LYS A 42 -0.555 -13.799 -10.106 1.00 4.51 O ATOM 658 CB LYS A 42 -3.476 -13.640 -9.033 1.00 21.43 C ATOM 659 CG LYS A 42 -4.252 -12.516 -8.369 1.00 34.41 C ATOM 660 CD LYS A 42 -3.348 -11.349 -8.011 1.00 24.44 C ATOM 661 CE LYS A 42 -2.157 -11.802 -7.179 1.00 71.12 C ATOM 662 NZ LYS A 42 -1.807 -10.810 -6.126 1.00 1.44 N ATOM 0 H LYS A 42 -2.521 -15.182 -11.133 1.00 24.35 H new ATOM 0 HA LYS A 42 -3.396 -12.376 -10.770 1.00 41.21 H new ATOM 0 HB2 LYS A 42 -4.137 -14.496 -9.168 1.00 21.43 H new ATOM 0 HB3 LYS A 42 -2.674 -13.959 -8.368 1.00 21.43 H new ATOM 0 HG2 LYS A 42 -5.042 -12.174 -9.038 1.00 34.41 H new ATOM 0 HG3 LYS A 42 -4.738 -12.891 -7.468 1.00 34.41 H new ATOM 0 HD2 LYS A 42 -2.994 -10.868 -8.923 1.00 24.44 H new ATOM 0 HD3 LYS A 42 -3.917 -10.603 -7.457 1.00 24.44 H new ATOM 0 HE2 LYS A 42 -2.383 -12.761 -6.713 1.00 71.12 H new ATOM 0 HE3 LYS A 42 -1.297 -11.959 -7.831 1.00 71.12 H new ATOM 0 HZ1 LYS A 42 -0.923 -11.096 -5.660 1.00 1.44 H new ATOM 0 HZ2 LYS A 42 -1.682 -9.873 -6.560 1.00 1.44 H new ATOM 0 HZ3 LYS A 42 -2.571 -10.767 -5.422 1.00 1.44 H new ATOM 676 N CYS A 43 -1.096 -11.617 -10.212 1.00 31.32 N ATOM 677 CA CYS A 43 0.278 -11.155 -10.060 1.00 63.41 C ATOM 678 C CYS A 43 0.376 -10.084 -8.978 1.00 54.42 C ATOM 679 O CYS A 43 -0.631 -9.682 -8.393 1.00 21.42 O ATOM 680 CB CYS A 43 0.803 -10.605 -11.388 1.00 11.24 C ATOM 681 SG CYS A 43 0.130 -8.972 -11.833 1.00 1.50 S ATOM 0 H CYS A 43 -1.784 -10.870 -10.307 1.00 31.32 H new ATOM 0 HA CYS A 43 0.890 -12.006 -9.760 1.00 63.41 H new ATOM 0 HB2 CYS A 43 1.890 -10.537 -11.337 1.00 11.24 H new ATOM 0 HB3 CYS A 43 0.565 -11.313 -12.182 1.00 11.24 H new ATOM 686 N THR A 44 1.595 -9.623 -8.717 1.00 41.24 N ATOM 687 CA THR A 44 1.825 -8.599 -7.706 1.00 41.33 C ATOM 688 C THR A 44 2.805 -7.543 -8.206 1.00 30.23 C ATOM 689 O THR A 44 3.767 -7.857 -8.908 1.00 15.24 O ATOM 690 CB THR A 44 2.368 -9.210 -6.401 1.00 30.02 C ATOM 691 OG1 THR A 44 2.510 -10.627 -6.546 1.00 24.52 O ATOM 692 CG2 THR A 44 1.441 -8.905 -5.234 1.00 32.20 C ATOM 0 H THR A 44 2.439 -9.943 -9.192 1.00 41.24 H new ATOM 0 HA THR A 44 0.861 -8.131 -7.506 1.00 41.33 H new ATOM 0 HB THR A 44 3.342 -8.767 -6.196 1.00 30.02 H new ATOM 0 HG1 THR A 44 2.857 -11.008 -5.713 1.00 24.52 H new ATOM 0 HG21 THR A 44 1.845 -9.347 -4.323 1.00 32.20 H new ATOM 0 HG22 THR A 44 1.358 -7.826 -5.108 1.00 32.20 H new ATOM 0 HG23 THR A 44 0.455 -9.324 -5.434 1.00 32.20 H new ATOM 700 N VAL A 45 2.556 -6.290 -7.839 1.00 33.11 N ATOM 701 CA VAL A 45 3.418 -5.188 -8.249 1.00 14.35 C ATOM 702 C VAL A 45 3.457 -4.096 -7.185 1.00 20.43 C ATOM 703 O VAL A 45 2.418 -3.586 -6.766 1.00 1.05 O ATOM 704 CB VAL A 45 2.949 -4.574 -9.581 1.00 15.30 C ATOM 705 CG1 VAL A 45 3.846 -3.412 -9.979 1.00 13.54 C ATOM 706 CG2 VAL A 45 2.918 -5.632 -10.673 1.00 74.12 C ATOM 0 H VAL A 45 1.764 -6.013 -7.259 1.00 33.11 H new ATOM 0 HA VAL A 45 4.418 -5.601 -8.380 1.00 14.35 H new ATOM 0 HB VAL A 45 1.937 -4.191 -9.448 1.00 15.30 H new ATOM 0 HG11 VAL A 45 3.499 -2.991 -10.923 1.00 13.54 H new ATOM 0 HG12 VAL A 45 3.813 -2.645 -9.205 1.00 13.54 H new ATOM 0 HG13 VAL A 45 4.870 -3.766 -10.095 1.00 13.54 H new ATOM 0 HG21 VAL A 45 2.584 -5.181 -11.607 1.00 74.12 H new ATOM 0 HG22 VAL A 45 3.917 -6.046 -10.807 1.00 74.12 H new ATOM 0 HG23 VAL A 45 2.230 -6.428 -10.389 1.00 74.12 H new ATOM 716 N ASP A 46 4.662 -3.743 -6.752 1.00 43.03 N ATOM 717 CA ASP A 46 4.838 -2.710 -5.738 1.00 22.33 C ATOM 718 C ASP A 46 5.706 -1.572 -6.266 1.00 14.13 C ATOM 719 O ASP A 46 6.776 -1.802 -6.829 1.00 42.23 O ATOM 720 CB ASP A 46 5.468 -3.306 -4.477 1.00 50.44 C ATOM 721 CG ASP A 46 4.461 -3.493 -3.360 1.00 13.00 C ATOM 722 OD1 ASP A 46 3.727 -4.503 -3.387 1.00 14.43 O ATOM 723 OD2 ASP A 46 4.406 -2.629 -2.459 1.00 71.51 O ATOM 0 H ASP A 46 5.532 -4.157 -7.087 1.00 43.03 H new ATOM 0 HA ASP A 46 3.856 -2.308 -5.490 1.00 22.33 H new ATOM 0 HB2 ASP A 46 5.920 -4.268 -4.720 1.00 50.44 H new ATOM 0 HB3 ASP A 46 6.271 -2.654 -4.133 1.00 50.44 H new ATOM 728 N THR A 47 5.236 -0.342 -6.081 1.00 0.14 N ATOM 729 CA THR A 47 5.967 0.832 -6.540 1.00 11.41 C ATOM 730 C THR A 47 6.993 1.280 -5.506 1.00 4.32 C ATOM 731 O THR A 47 7.931 2.012 -5.824 1.00 53.51 O ATOM 732 CB THR A 47 5.014 2.004 -6.842 1.00 1.41 C ATOM 733 OG1 THR A 47 3.664 1.626 -6.550 1.00 3.44 O ATOM 734 CG2 THR A 47 5.123 2.429 -8.299 1.00 22.14 C ATOM 0 H THR A 47 4.352 -0.134 -5.616 1.00 0.14 H new ATOM 0 HA THR A 47 6.481 0.545 -7.457 1.00 11.41 H new ATOM 0 HB THR A 47 5.299 2.846 -6.212 1.00 1.41 H new ATOM 0 HG1 THR A 47 3.065 2.377 -6.743 1.00 3.44 H new ATOM 0 HG21 THR A 47 4.441 3.258 -8.488 1.00 22.14 H new ATOM 0 HG22 THR A 47 6.145 2.744 -8.511 1.00 22.14 H new ATOM 0 HG23 THR A 47 4.862 1.590 -8.943 1.00 22.14 H new ATOM 742 N TYR A 48 6.811 0.836 -4.267 1.00 62.14 N ATOM 743 CA TYR A 48 7.721 1.193 -3.186 1.00 23.24 C ATOM 744 C TYR A 48 8.939 0.274 -3.173 1.00 2.02 C ATOM 745 O TYR A 48 10.064 0.719 -2.947 1.00 34.24 O ATOM 746 CB TYR A 48 7.000 1.120 -1.839 1.00 14.31 C ATOM 747 CG TYR A 48 7.724 1.840 -0.724 1.00 64.10 C ATOM 748 CD1 TYR A 48 8.249 3.112 -0.917 1.00 63.30 C ATOM 749 CD2 TYR A 48 7.883 1.248 0.523 1.00 24.11 C ATOM 750 CE1 TYR A 48 8.913 3.772 0.099 1.00 51.24 C ATOM 751 CE2 TYR A 48 8.544 1.902 1.545 1.00 22.31 C ATOM 752 CZ TYR A 48 9.058 3.163 1.328 1.00 54.32 C ATOM 753 OH TYR A 48 9.717 3.819 2.343 1.00 73.35 O ATOM 0 H TYR A 48 6.041 0.228 -3.987 1.00 62.14 H new ATOM 0 HA TYR A 48 8.061 2.215 -3.354 1.00 23.24 H new ATOM 0 HB2 TYR A 48 6.002 1.546 -1.947 1.00 14.31 H new ATOM 0 HB3 TYR A 48 6.872 0.074 -1.561 1.00 14.31 H new ATOM 0 HD1 TYR A 48 8.136 3.593 -1.877 1.00 63.30 H new ATOM 0 HD2 TYR A 48 7.483 0.260 0.696 1.00 24.11 H new ATOM 0 HE1 TYR A 48 9.316 4.760 -0.068 1.00 51.24 H new ATOM 0 HE2 TYR A 48 8.657 1.428 2.509 1.00 22.31 H new ATOM 0 HH TYR A 48 9.731 3.253 3.143 1.00 73.35 H new ATOM 763 N ASN A 49 8.705 -1.011 -3.418 1.00 63.12 N ATOM 764 CA ASN A 49 9.782 -1.994 -3.435 1.00 63.33 C ATOM 765 C ASN A 49 10.155 -2.368 -4.867 1.00 4.52 C ATOM 766 O ASN A 49 11.111 -3.108 -5.097 1.00 12.50 O ATOM 767 CB ASN A 49 9.369 -3.248 -2.661 1.00 2.52 C ATOM 768 CG ASN A 49 9.636 -3.122 -1.173 1.00 40.02 C ATOM 769 OD1 ASN A 49 9.509 -2.041 -0.598 1.00 33.35 O ATOM 770 ND2 ASN A 49 10.009 -4.230 -0.544 1.00 33.24 N ATOM 0 H ASN A 49 7.780 -1.396 -3.607 1.00 63.12 H new ATOM 0 HA ASN A 49 10.653 -1.549 -2.955 1.00 63.33 H new ATOM 0 HB2 ASN A 49 8.308 -3.438 -2.822 1.00 2.52 H new ATOM 0 HB3 ASN A 49 9.911 -4.109 -3.053 1.00 2.52 H new ATOM 0 HD21 ASN A 49 10.203 -4.207 0.457 1.00 33.24 H new ATOM 0 HD22 ASN A 49 10.101 -5.104 -1.062 1.00 33.24 H new ATOM 777 N ASN A 50 9.394 -1.849 -5.825 1.00 64.02 N ATOM 778 CA ASN A 50 9.645 -2.128 -7.235 1.00 11.53 C ATOM 779 C ASN A 50 9.737 -3.630 -7.484 1.00 42.23 C ATOM 780 O ASN A 50 10.408 -4.075 -8.415 1.00 43.40 O ATOM 781 CB ASN A 50 10.936 -1.443 -7.690 1.00 34.44 C ATOM 782 CG ASN A 50 10.850 -0.938 -9.117 1.00 11.32 C ATOM 783 OD1 ASN A 50 11.131 0.346 -9.307 1.00 1.32 O flip ATOM 784 ND2 ASN A 50 10.535 -1.693 -10.037 1.00 51.22 N flip ATOM 0 H ASN A 50 8.599 -1.234 -5.651 1.00 64.02 H new ATOM 0 HA ASN A 50 8.809 -1.733 -7.813 1.00 11.53 H new ATOM 0 HB2 ASN A 50 11.155 -0.608 -7.025 1.00 34.44 H new ATOM 0 HB3 ASN A 50 11.766 -2.145 -7.605 1.00 34.44 H new ATOM 0 HD21 ASN A 50 10.328 -2.673 -9.844 1.00 51.22 H new ATOM 0 HD22 ASN A 50 10.482 -1.339 -10.992 1.00 51.22 H new ATOM 791 N ALA A 51 9.058 -4.406 -6.647 1.00 32.15 N ATOM 792 CA ALA A 51 9.061 -5.858 -6.778 1.00 14.24 C ATOM 793 C ALA A 51 7.802 -6.348 -7.486 1.00 44.44 C ATOM 794 O ALA A 51 6.685 -6.071 -7.050 1.00 73.44 O ATOM 795 CB ALA A 51 9.186 -6.511 -5.409 1.00 60.02 C ATOM 0 H ALA A 51 8.498 -4.054 -5.870 1.00 32.15 H new ATOM 0 HA ALA A 51 9.921 -6.142 -7.384 1.00 14.24 H new ATOM 0 HB1 ALA A 51 9.187 -7.595 -5.522 1.00 60.02 H new ATOM 0 HB2 ALA A 51 10.117 -6.194 -4.938 1.00 60.02 H new ATOM 0 HB3 ALA A 51 8.344 -6.212 -4.785 1.00 60.02 H new ATOM 801 N VAL A 52 7.991 -7.076 -8.582 1.00 45.33 N ATOM 802 CA VAL A 52 6.871 -7.604 -9.352 1.00 24.34 C ATOM 803 C VAL A 52 6.951 -9.122 -9.466 1.00 63.43 C ATOM 804 O VAL A 52 8.032 -9.686 -9.637 1.00 64.23 O ATOM 805 CB VAL A 52 6.825 -6.995 -10.766 1.00 35.44 C ATOM 806 CG1 VAL A 52 8.213 -6.981 -11.387 1.00 74.34 C ATOM 807 CG2 VAL A 52 5.846 -7.761 -11.643 1.00 21.50 C ATOM 0 H VAL A 52 8.909 -7.314 -8.957 1.00 45.33 H new ATOM 0 HA VAL A 52 5.961 -7.330 -8.817 1.00 24.34 H new ATOM 0 HB VAL A 52 6.479 -5.964 -10.689 1.00 35.44 H new ATOM 0 HG11 VAL A 52 8.160 -6.547 -12.386 1.00 74.34 H new ATOM 0 HG12 VAL A 52 8.883 -6.385 -10.767 1.00 74.34 H new ATOM 0 HG13 VAL A 52 8.592 -8.001 -11.454 1.00 74.34 H new ATOM 0 HG21 VAL A 52 5.826 -7.318 -12.639 1.00 21.50 H new ATOM 0 HG22 VAL A 52 6.160 -8.802 -11.716 1.00 21.50 H new ATOM 0 HG23 VAL A 52 4.850 -7.713 -11.204 1.00 21.50 H new ATOM 817 N ASP A 53 5.800 -9.779 -9.372 1.00 2.43 N ATOM 818 CA ASP A 53 5.739 -11.233 -9.466 1.00 51.44 C ATOM 819 C ASP A 53 4.529 -11.673 -10.285 1.00 21.34 C ATOM 820 O ASP A 53 3.387 -11.372 -9.936 1.00 43.41 O ATOM 821 CB ASP A 53 5.680 -11.854 -8.070 1.00 53.01 C ATOM 822 CG ASP A 53 6.420 -13.175 -7.992 1.00 42.42 C ATOM 823 OD1 ASP A 53 5.980 -14.142 -8.649 1.00 1.40 O ATOM 824 OD2 ASP A 53 7.440 -13.241 -7.275 1.00 42.13 O ATOM 0 H ASP A 53 4.896 -9.327 -9.231 1.00 2.43 H new ATOM 0 HA ASP A 53 6.642 -11.579 -9.970 1.00 51.44 H new ATOM 0 HB2 ASP A 53 6.107 -11.158 -7.348 1.00 53.01 H new ATOM 0 HB3 ASP A 53 4.638 -12.007 -7.787 1.00 53.01 H new ATOM 829 N CYS A 54 4.787 -12.388 -11.375 1.00 1.22 N ATOM 830 CA CYS A 54 3.721 -12.869 -12.244 1.00 75.23 C ATOM 831 C CYS A 54 3.427 -14.343 -11.980 1.00 33.10 C ATOM 832 O CYS A 54 4.340 -15.166 -11.911 1.00 73.22 O ATOM 833 CB CYS A 54 4.102 -12.669 -13.713 1.00 34.25 C ATOM 834 SG CYS A 54 2.676 -12.487 -14.832 1.00 64.34 S ATOM 0 H CYS A 54 5.726 -12.647 -11.677 1.00 1.22 H new ATOM 0 HA CYS A 54 2.822 -12.293 -12.027 1.00 75.23 H new ATOM 0 HB2 CYS A 54 4.732 -11.783 -13.797 1.00 34.25 H new ATOM 0 HB3 CYS A 54 4.702 -13.518 -14.041 1.00 34.25 H new ATOM 839 N ASP A 55 2.147 -14.668 -11.833 1.00 21.31 N ATOM 840 CA ASP A 55 1.732 -16.043 -11.578 1.00 10.35 C ATOM 841 C ASP A 55 2.364 -16.998 -12.585 1.00 41.54 C ATOM 842 O ASP A 55 3.120 -17.896 -12.214 1.00 62.31 O ATOM 843 CB ASP A 55 0.208 -16.157 -11.635 1.00 12.41 C ATOM 844 CG ASP A 55 -0.390 -16.600 -10.314 1.00 63.21 C ATOM 845 OD1 ASP A 55 0.289 -17.345 -9.576 1.00 11.13 O ATOM 846 OD2 ASP A 55 -1.536 -16.202 -10.018 1.00 64.13 O ATOM 0 H ASP A 55 1.379 -13.999 -11.886 1.00 21.31 H new ATOM 0 HA ASP A 55 2.072 -16.320 -10.580 1.00 10.35 H new ATOM 0 HB2 ASP A 55 -0.215 -15.193 -11.917 1.00 12.41 H new ATOM 0 HB3 ASP A 55 -0.071 -16.867 -12.413 1.00 12.41 H new