USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 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 Set 1.1: A 37 THR OG1 : rot 180:sc= 0.0202 USER MOD Set 1.2: A 41 ASN : amide:sc= -3.22 K(o=-3.2,f=-4.7!) 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+ -174:sc= 0 (180deg=-0.0283) USER MOD Single : A 8 THR OG1 : rot -140:sc= -0.115 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0223 (180deg=-0.242) USER MOD Single : A 10 SER OG : rot 180:sc= 0.034 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00213 X(o=-0.0021,f=-0.29) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.03! C(o=-2!,f=-5!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0894 X(o=-0.089,f=-0.076) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= -0.131 (180deg=-0.65) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.495 K(o=0.49,f=-0.052) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.2!) USER MOD Single : A 50 ASN : amide:sc= -0.0859 X(o=-0.086,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 1.311 -2.189 -1.765 1.00 40.33 N ATOM 12 CA LYS A 2 1.258 -3.253 -2.761 1.00 3.31 C ATOM 13 C LYS A 2 -0.005 -3.143 -3.608 1.00 15.00 C ATOM 14 O LYS A 2 -0.978 -2.503 -3.209 1.00 15.15 O ATOM 15 CB LYS A 2 1.310 -4.621 -2.078 1.00 62.31 C ATOM 16 CG LYS A 2 0.111 -4.904 -1.190 1.00 53.13 C ATOM 17 CD LYS A 2 0.275 -6.209 -0.430 1.00 73.43 C ATOM 18 CE LYS A 2 1.045 -6.007 0.866 1.00 71.04 C ATOM 19 NZ LYS A 2 1.838 -7.213 1.234 1.00 52.44 N ATOM 0 HA LYS A 2 2.123 -3.147 -3.416 1.00 3.31 H new ATOM 0 HB2 LYS A 2 1.377 -5.396 -2.841 1.00 62.31 H new ATOM 0 HB3 LYS A 2 2.218 -4.684 -1.479 1.00 62.31 H new ATOM 0 HG2 LYS A 2 -0.021 -4.085 -0.483 1.00 53.13 H new ATOM 0 HG3 LYS A 2 -0.792 -4.948 -1.799 1.00 53.13 H new ATOM 0 HD2 LYS A 2 -0.707 -6.629 -0.210 1.00 73.43 H new ATOM 0 HD3 LYS A 2 0.798 -6.932 -1.056 1.00 73.43 H new ATOM 0 HE2 LYS A 2 1.712 -5.151 0.762 1.00 71.04 H new ATOM 0 HE3 LYS A 2 0.348 -5.772 1.670 1.00 71.04 H new ATOM 0 HZ1 LYS A 2 2.348 -7.035 2.123 1.00 52.44 H new ATOM 0 HZ2 LYS A 2 1.199 -8.024 1.358 1.00 52.44 H new ATOM 0 HZ3 LYS A 2 2.521 -7.423 0.479 1.00 52.44 H new ATOM 33 N TYR A 3 0.016 -3.772 -4.778 1.00 34.03 N ATOM 34 CA TYR A 3 -1.128 -3.744 -5.681 1.00 75.12 C ATOM 35 C TYR A 3 -1.391 -5.127 -6.271 1.00 11.53 C ATOM 36 O TYR A 3 -0.473 -5.800 -6.739 1.00 62.41 O ATOM 37 CB TYR A 3 -0.892 -2.734 -6.806 1.00 33.43 C ATOM 38 CG TYR A 3 -0.797 -1.304 -6.325 1.00 62.00 C ATOM 39 CD1 TYR A 3 -1.830 -0.724 -5.599 1.00 22.45 C ATOM 40 CD2 TYR A 3 0.325 -0.532 -6.598 1.00 5.10 C ATOM 41 CE1 TYR A 3 -1.747 0.582 -5.158 1.00 14.32 C ATOM 42 CE2 TYR A 3 0.417 0.775 -6.160 1.00 21.00 C ATOM 43 CZ TYR A 3 -0.622 1.328 -5.441 1.00 22.34 C ATOM 44 OH TYR A 3 -0.535 2.630 -5.004 1.00 21.33 O ATOM 0 H TYR A 3 0.813 -4.307 -5.123 1.00 34.03 H new ATOM 0 HA TYR A 3 -2.004 -3.441 -5.107 1.00 75.12 H new ATOM 0 HB2 TYR A 3 0.028 -2.994 -7.330 1.00 33.43 H new ATOM 0 HB3 TYR A 3 -1.704 -2.812 -7.529 1.00 33.43 H new ATOM 0 HD1 TYR A 3 -2.713 -1.304 -5.376 1.00 22.45 H new ATOM 0 HD2 TYR A 3 1.140 -0.961 -7.163 1.00 5.10 H new ATOM 0 HE1 TYR A 3 -2.559 1.017 -4.594 1.00 14.32 H new ATOM 0 HE2 TYR A 3 1.298 1.360 -6.379 1.00 21.00 H new ATOM 0 HH TYR A 3 0.322 3.013 -5.286 1.00 21.33 H new ATOM 54 N THR A 4 -2.653 -5.544 -6.245 1.00 11.14 N ATOM 55 CA THR A 4 -3.039 -6.845 -6.775 1.00 62.41 C ATOM 56 C THR A 4 -3.568 -6.724 -8.200 1.00 4.34 C ATOM 57 O THR A 4 -4.528 -5.999 -8.456 1.00 1.21 O ATOM 58 CB THR A 4 -4.113 -7.514 -5.896 1.00 64.44 C ATOM 59 OG1 THR A 4 -3.988 -7.064 -4.543 1.00 30.33 O ATOM 60 CG2 THR A 4 -3.986 -9.029 -5.946 1.00 65.51 C ATOM 0 H THR A 4 -3.425 -4.999 -5.862 1.00 11.14 H new ATOM 0 HA THR A 4 -2.142 -7.464 -6.775 1.00 62.41 H new ATOM 0 HB THR A 4 -5.093 -7.235 -6.282 1.00 64.44 H new ATOM 0 HG1 THR A 4 -4.675 -7.492 -3.991 1.00 30.33 H new ATOM 0 HG21 THR A 4 -4.755 -9.479 -5.318 1.00 65.51 H new ATOM 0 HG22 THR A 4 -4.111 -9.371 -6.973 1.00 65.51 H new ATOM 0 HG23 THR A 4 -3.002 -9.324 -5.582 1.00 65.51 H new ATOM 68 N GLY A 5 -2.934 -7.439 -9.124 1.00 73.24 N ATOM 69 CA GLY A 5 -3.356 -7.397 -10.512 1.00 72.43 C ATOM 70 C GLY A 5 -3.432 -8.776 -11.137 1.00 60.30 C ATOM 71 O GLY A 5 -2.840 -9.730 -10.630 1.00 53.41 O ATOM 0 H GLY A 5 -2.136 -8.046 -8.937 1.00 73.24 H new ATOM 0 HA2 GLY A 5 -4.333 -6.918 -10.577 1.00 72.43 H new ATOM 0 HA3 GLY A 5 -2.660 -6.781 -11.082 1.00 72.43 H new ATOM 75 N LYS A 6 -4.164 -8.885 -12.241 1.00 4.41 N ATOM 76 CA LYS A 6 -4.316 -10.157 -12.937 1.00 11.14 C ATOM 77 C LYS A 6 -3.715 -10.087 -14.337 1.00 13.21 C ATOM 78 O LYS A 6 -3.771 -9.048 -14.996 1.00 61.10 O ATOM 79 CB LYS A 6 -5.795 -10.540 -13.023 1.00 71.32 C ATOM 80 CG LYS A 6 -6.480 -10.630 -11.671 1.00 34.13 C ATOM 81 CD LYS A 6 -7.555 -9.567 -11.518 1.00 42.52 C ATOM 82 CE LYS A 6 -8.577 -9.954 -10.460 1.00 63.25 C ATOM 83 NZ LYS A 6 -8.169 -9.499 -9.102 1.00 73.14 N ATOM 0 H LYS A 6 -4.662 -8.107 -12.673 1.00 4.41 H new ATOM 0 HA LYS A 6 -3.782 -10.919 -12.370 1.00 11.14 H new ATOM 0 HB2 LYS A 6 -6.317 -9.806 -13.637 1.00 71.32 H new ATOM 0 HB3 LYS A 6 -5.884 -11.501 -13.530 1.00 71.32 H new ATOM 0 HG2 LYS A 6 -6.925 -11.618 -11.553 1.00 34.13 H new ATOM 0 HG3 LYS A 6 -5.740 -10.517 -10.879 1.00 34.13 H new ATOM 0 HD2 LYS A 6 -7.093 -8.617 -11.248 1.00 42.52 H new ATOM 0 HD3 LYS A 6 -8.058 -9.417 -12.473 1.00 42.52 H new ATOM 0 HE2 LYS A 6 -9.544 -9.520 -10.713 1.00 63.25 H new ATOM 0 HE3 LYS A 6 -8.705 -11.036 -10.457 1.00 63.25 H new ATOM 0 HZ1 LYS A 6 -8.838 -9.869 -8.397 1.00 73.14 H new ATOM 0 HZ2 LYS A 6 -7.213 -9.851 -8.891 1.00 73.14 H new ATOM 0 HZ3 LYS A 6 -8.170 -8.460 -9.069 1.00 73.14 H new ATOM 97 N CYS A 7 -3.142 -11.198 -14.786 1.00 75.34 N ATOM 98 CA CYS A 7 -2.532 -11.264 -16.109 1.00 13.22 C ATOM 99 C CYS A 7 -3.076 -12.449 -16.901 1.00 35.22 C ATOM 100 O CYS A 7 -3.708 -13.347 -16.342 1.00 51.13 O ATOM 101 CB CYS A 7 -1.011 -11.373 -15.987 1.00 31.24 C ATOM 102 SG CYS A 7 -0.413 -13.055 -15.622 1.00 55.02 S ATOM 0 H CYS A 7 -3.087 -12.066 -14.253 1.00 75.34 H new ATOM 0 HA CYS A 7 -2.783 -10.347 -16.643 1.00 13.22 H new ATOM 0 HB2 CYS A 7 -0.557 -11.031 -16.917 1.00 31.24 H new ATOM 0 HB3 CYS A 7 -0.671 -10.699 -15.200 1.00 31.24 H new ATOM 107 N THR A 8 -2.827 -12.446 -18.207 1.00 21.03 N ATOM 108 CA THR A 8 -3.292 -13.519 -19.076 1.00 63.33 C ATOM 109 C THR A 8 -2.120 -14.292 -19.670 1.00 62.15 C ATOM 110 O THR A 8 -1.039 -13.740 -19.876 1.00 24.12 O ATOM 111 CB THR A 8 -4.167 -12.975 -20.221 1.00 63.34 C ATOM 112 OG1 THR A 8 -4.119 -11.544 -20.237 1.00 33.32 O ATOM 113 CG2 THR A 8 -5.608 -13.439 -20.068 1.00 44.54 C ATOM 0 H THR A 8 -2.306 -11.712 -18.686 1.00 21.03 H new ATOM 0 HA THR A 8 -3.890 -14.189 -18.459 1.00 63.33 H new ATOM 0 HB THR A 8 -3.776 -13.361 -21.163 1.00 63.34 H new ATOM 0 HG1 THR A 8 -5.011 -11.189 -20.433 1.00 33.32 H new ATOM 0 HG21 THR A 8 -6.207 -13.042 -20.888 1.00 44.54 H new ATOM 0 HG22 THR A 8 -5.643 -14.528 -20.086 1.00 44.54 H new ATOM 0 HG23 THR A 8 -6.007 -13.079 -19.120 1.00 44.54 H new ATOM 121 N LYS A 9 -2.341 -15.573 -19.946 1.00 4.01 N ATOM 122 CA LYS A 9 -1.304 -16.423 -20.519 1.00 44.30 C ATOM 123 C LYS A 9 -1.117 -16.127 -22.004 1.00 32.42 C ATOM 124 O LYS A 9 -0.059 -16.398 -22.572 1.00 53.31 O ATOM 125 CB LYS A 9 -1.658 -17.898 -20.322 1.00 70.42 C ATOM 126 CG LYS A 9 -2.675 -18.418 -21.323 1.00 72.32 C ATOM 127 CD LYS A 9 -2.991 -19.886 -21.087 1.00 3.35 C ATOM 128 CE LYS A 9 -1.783 -20.767 -21.363 1.00 65.33 C ATOM 129 NZ LYS A 9 -1.373 -20.714 -22.794 1.00 72.01 N ATOM 0 H LYS A 9 -3.230 -16.046 -19.782 1.00 4.01 H new ATOM 0 HA LYS A 9 -0.368 -16.209 -20.003 1.00 44.30 H new ATOM 0 HB2 LYS A 9 -0.749 -18.494 -20.397 1.00 70.42 H new ATOM 0 HB3 LYS A 9 -2.048 -18.038 -19.314 1.00 70.42 H new ATOM 0 HG2 LYS A 9 -3.591 -17.832 -21.250 1.00 72.32 H new ATOM 0 HG3 LYS A 9 -2.291 -18.286 -22.335 1.00 72.32 H new ATOM 0 HD2 LYS A 9 -3.318 -20.028 -20.057 1.00 3.35 H new ATOM 0 HD3 LYS A 9 -3.818 -20.189 -21.729 1.00 3.35 H new ATOM 0 HE2 LYS A 9 -0.951 -20.449 -20.735 1.00 65.33 H new ATOM 0 HE3 LYS A 9 -2.014 -21.796 -21.089 1.00 65.33 H new ATOM 0 HZ1 LYS A 9 -0.725 -21.502 -22.999 1.00 72.01 H new ATOM 0 HZ2 LYS A 9 -2.215 -20.792 -23.399 1.00 72.01 H new ATOM 0 HZ3 LYS A 9 -0.892 -19.812 -22.984 1.00 72.01 H new ATOM 143 N SER A 10 -2.151 -15.570 -22.626 1.00 71.01 N ATOM 144 CA SER A 10 -2.102 -15.240 -24.046 1.00 24.14 C ATOM 145 C SER A 10 -1.403 -13.902 -24.268 1.00 53.03 C ATOM 146 O SER A 10 -0.535 -13.777 -25.132 1.00 61.31 O ATOM 147 CB SER A 10 -3.515 -15.194 -24.630 1.00 22.23 C ATOM 148 OG SER A 10 -4.441 -15.840 -23.774 1.00 75.43 O ATOM 0 H SER A 10 -3.033 -15.338 -22.169 1.00 71.01 H new ATOM 0 HA SER A 10 -1.532 -16.017 -24.555 1.00 24.14 H new ATOM 0 HB2 SER A 10 -3.816 -14.157 -24.781 1.00 22.23 H new ATOM 0 HB3 SER A 10 -3.523 -15.674 -25.609 1.00 22.23 H new ATOM 0 HG SER A 10 -5.337 -15.796 -24.168 1.00 75.43 H new ATOM 154 N LYS A 11 -1.789 -12.903 -23.482 1.00 52.55 N ATOM 155 CA LYS A 11 -1.201 -11.573 -23.591 1.00 13.43 C ATOM 156 C LYS A 11 0.030 -11.448 -22.699 1.00 63.13 C ATOM 157 O LYS A 11 0.827 -10.523 -22.851 1.00 15.30 O ATOM 158 CB LYS A 11 -2.230 -10.505 -23.210 1.00 23.33 C ATOM 159 CG LYS A 11 -3.509 -10.574 -24.026 1.00 63.21 C ATOM 160 CD LYS A 11 -4.710 -10.897 -23.154 1.00 13.42 C ATOM 161 CE LYS A 11 -5.992 -10.957 -23.971 1.00 21.03 C ATOM 162 NZ LYS A 11 -6.614 -12.309 -23.927 1.00 72.33 N ATOM 0 H LYS A 11 -2.507 -12.989 -22.762 1.00 52.55 H new ATOM 0 HA LYS A 11 -0.895 -11.422 -24.626 1.00 13.43 H new ATOM 0 HB2 LYS A 11 -2.477 -10.611 -22.154 1.00 23.33 H new ATOM 0 HB3 LYS A 11 -1.782 -9.519 -23.335 1.00 23.33 H new ATOM 0 HG2 LYS A 11 -3.671 -9.622 -24.532 1.00 63.21 H new ATOM 0 HG3 LYS A 11 -3.406 -11.333 -24.801 1.00 63.21 H new ATOM 0 HD2 LYS A 11 -4.551 -11.852 -22.654 1.00 13.42 H new ATOM 0 HD3 LYS A 11 -4.809 -10.141 -22.375 1.00 13.42 H new ATOM 0 HE2 LYS A 11 -6.699 -10.219 -23.592 1.00 21.03 H new ATOM 0 HE3 LYS A 11 -5.776 -10.690 -25.006 1.00 21.03 H new ATOM 0 HZ1 LYS A 11 -7.485 -12.309 -24.496 1.00 72.33 H new ATOM 0 HZ2 LYS A 11 -5.949 -13.010 -24.312 1.00 72.33 H new ATOM 0 HZ3 LYS A 11 -6.843 -12.554 -22.943 1.00 72.33 H new ATOM 176 N ASN A 12 0.180 -12.387 -21.771 1.00 4.04 N ATOM 177 CA ASN A 12 1.316 -12.382 -20.856 1.00 21.24 C ATOM 178 C ASN A 12 1.504 -11.004 -20.230 1.00 4.45 C ATOM 179 O ASN A 12 2.630 -10.576 -19.975 1.00 14.20 O ATOM 180 CB ASN A 12 2.592 -12.799 -21.590 1.00 75.54 C ATOM 181 CG ASN A 12 3.307 -13.946 -20.902 1.00 12.33 C ATOM 182 OD1 ASN A 12 2.756 -15.037 -20.754 1.00 12.31 O ATOM 183 ND2 ASN A 12 4.541 -13.702 -20.476 1.00 60.53 N ATOM 0 H ASN A 12 -0.470 -13.161 -21.632 1.00 4.04 H new ATOM 0 HA ASN A 12 1.112 -13.099 -20.060 1.00 21.24 H new ATOM 0 HB2 ASN A 12 2.342 -13.090 -22.610 1.00 75.54 H new ATOM 0 HB3 ASN A 12 3.265 -11.944 -21.658 1.00 75.54 H new ATOM 0 HD21 ASN A 12 5.072 -14.434 -20.004 1.00 60.53 H new ATOM 0 HD22 ASN A 12 4.958 -12.782 -20.620 1.00 60.53 H new ATOM 190 N GLU A 13 0.394 -10.314 -19.984 1.00 24.50 N ATOM 191 CA GLU A 13 0.438 -8.984 -19.388 1.00 20.41 C ATOM 192 C GLU A 13 -0.510 -8.891 -18.196 1.00 21.24 C ATOM 193 O GLU A 13 -1.641 -9.376 -18.248 1.00 3.25 O ATOM 194 CB GLU A 13 0.073 -7.923 -20.428 1.00 20.02 C ATOM 195 CG GLU A 13 -1.419 -7.822 -20.696 1.00 51.24 C ATOM 196 CD GLU A 13 -1.728 -7.369 -22.110 1.00 40.02 C ATOM 197 OE1 GLU A 13 -0.799 -6.893 -22.796 1.00 52.41 O ATOM 198 OE2 GLU A 13 -2.897 -7.490 -22.531 1.00 34.54 O ATOM 0 H GLU A 13 -0.546 -10.654 -20.188 1.00 24.50 H new ATOM 0 HA GLU A 13 1.454 -8.804 -19.037 1.00 20.41 H new ATOM 0 HB2 GLU A 13 0.439 -6.954 -20.090 1.00 20.02 H new ATOM 0 HB3 GLU A 13 0.587 -8.150 -21.362 1.00 20.02 H new ATOM 0 HG2 GLU A 13 -1.883 -8.793 -20.520 1.00 51.24 H new ATOM 0 HG3 GLU A 13 -1.865 -7.123 -19.989 1.00 51.24 H new ATOM 205 N CYS A 14 -0.040 -8.265 -17.122 1.00 33.24 N ATOM 206 CA CYS A 14 -0.844 -8.108 -15.915 1.00 64.32 C ATOM 207 C CYS A 14 -1.527 -6.744 -15.890 1.00 44.11 C ATOM 208 O CYS A 14 -1.164 -5.841 -16.645 1.00 71.41 O ATOM 209 CB CYS A 14 0.030 -8.277 -14.670 1.00 53.33 C ATOM 210 SG CYS A 14 -0.869 -8.888 -13.208 1.00 53.45 S ATOM 0 H CYS A 14 0.893 -7.858 -17.063 1.00 33.24 H new ATOM 0 HA CYS A 14 -1.614 -8.880 -15.918 1.00 64.32 H new ATOM 0 HB2 CYS A 14 0.841 -8.968 -14.900 1.00 53.33 H new ATOM 0 HB3 CYS A 14 0.488 -7.318 -14.427 1.00 53.33 H new ATOM 215 N LYS A 15 -2.517 -6.600 -15.016 1.00 72.43 N ATOM 216 CA LYS A 15 -3.251 -5.347 -14.890 1.00 11.10 C ATOM 217 C LYS A 15 -3.634 -5.084 -13.437 1.00 24.41 C ATOM 218 O LYS A 15 -4.277 -5.915 -12.794 1.00 43.05 O ATOM 219 CB LYS A 15 -4.508 -5.378 -15.762 1.00 34.02 C ATOM 220 CG LYS A 15 -5.544 -6.389 -15.300 1.00 64.14 C ATOM 221 CD LYS A 15 -6.622 -5.736 -14.452 1.00 3.20 C ATOM 222 CE LYS A 15 -7.846 -5.381 -15.282 1.00 44.14 C ATOM 223 NZ LYS A 15 -8.999 -6.273 -14.980 1.00 22.20 N ATOM 0 H LYS A 15 -2.830 -7.337 -14.384 1.00 72.43 H new ATOM 0 HA LYS A 15 -2.602 -4.539 -15.228 1.00 11.10 H new ATOM 0 HB2 LYS A 15 -4.959 -4.386 -15.770 1.00 34.02 H new ATOM 0 HB3 LYS A 15 -4.222 -5.606 -16.789 1.00 34.02 H new ATOM 0 HG2 LYS A 15 -6.001 -6.865 -16.168 1.00 64.14 H new ATOM 0 HG3 LYS A 15 -5.055 -7.176 -14.726 1.00 64.14 H new ATOM 0 HD2 LYS A 15 -6.911 -6.411 -13.646 1.00 3.20 H new ATOM 0 HD3 LYS A 15 -6.224 -4.835 -13.986 1.00 3.20 H new ATOM 0 HE2 LYS A 15 -8.128 -4.346 -15.089 1.00 44.14 H new ATOM 0 HE3 LYS A 15 -7.599 -5.452 -16.341 1.00 44.14 H new ATOM 0 HZ1 LYS A 15 -9.813 -5.998 -15.566 1.00 22.20 H new ATOM 0 HZ2 LYS A 15 -8.739 -7.258 -15.188 1.00 22.20 H new ATOM 0 HZ3 LYS A 15 -9.251 -6.186 -13.975 1.00 22.20 H new ATOM 237 N TYR A 16 -3.236 -3.925 -12.925 1.00 43.14 N ATOM 238 CA TYR A 16 -3.536 -3.554 -11.548 1.00 13.12 C ATOM 239 C TYR A 16 -3.905 -2.077 -11.449 1.00 52.25 C ATOM 240 O TYR A 16 -3.650 -1.298 -12.368 1.00 74.05 O ATOM 241 CB TYR A 16 -2.339 -3.853 -10.644 1.00 71.20 C ATOM 242 CG TYR A 16 -1.079 -3.121 -11.046 1.00 0.42 C ATOM 243 CD1 TYR A 16 -0.815 -1.841 -10.573 1.00 40.04 C ATOM 244 CD2 TYR A 16 -0.152 -3.709 -11.897 1.00 43.23 C ATOM 245 CE1 TYR A 16 0.335 -1.168 -10.939 1.00 13.23 C ATOM 246 CE2 TYR A 16 1.001 -3.044 -12.267 1.00 4.43 C ATOM 247 CZ TYR A 16 1.240 -1.773 -11.785 1.00 72.32 C ATOM 248 OH TYR A 16 2.387 -1.107 -12.150 1.00 51.43 O ATOM 0 H TYR A 16 -2.704 -3.226 -13.444 1.00 43.14 H new ATOM 0 HA TYR A 16 -4.389 -4.146 -11.218 1.00 13.12 H new ATOM 0 HB2 TYR A 16 -2.593 -3.585 -9.618 1.00 71.20 H new ATOM 0 HB3 TYR A 16 -2.145 -4.926 -10.655 1.00 71.20 H new ATOM 0 HD1 TYR A 16 -1.520 -1.364 -9.908 1.00 40.04 H new ATOM 0 HD2 TYR A 16 -0.336 -4.703 -12.276 1.00 43.23 H new ATOM 0 HE1 TYR A 16 0.524 -0.173 -10.564 1.00 13.23 H new ATOM 0 HE2 TYR A 16 1.711 -3.516 -12.930 1.00 4.43 H new ATOM 0 HH TYR A 16 2.917 -1.673 -12.749 1.00 51.43 H new ATOM 258 N LYS A 17 -4.507 -1.698 -10.327 1.00 40.52 N ATOM 259 CA LYS A 17 -4.911 -0.314 -10.105 1.00 25.23 C ATOM 260 C LYS A 17 -3.866 0.432 -9.281 1.00 23.53 C ATOM 261 O LYS A 17 -3.525 0.019 -8.173 1.00 72.30 O ATOM 262 CB LYS A 17 -6.266 -0.264 -9.395 1.00 64.52 C ATOM 263 CG LYS A 17 -7.445 -0.518 -10.318 1.00 50.31 C ATOM 264 CD LYS A 17 -8.701 -0.865 -9.536 1.00 24.20 C ATOM 265 CE LYS A 17 -9.937 -0.831 -10.422 1.00 5.42 C ATOM 266 NZ LYS A 17 -11.124 -1.417 -9.741 1.00 22.14 N ATOM 0 H LYS A 17 -4.726 -2.330 -9.557 1.00 40.52 H new ATOM 0 HA LYS A 17 -4.998 0.173 -11.076 1.00 25.23 H new ATOM 0 HB2 LYS A 17 -6.275 -1.004 -8.595 1.00 64.52 H new ATOM 0 HB3 LYS A 17 -6.386 0.713 -8.927 1.00 64.52 H new ATOM 0 HG2 LYS A 17 -7.628 0.367 -10.928 1.00 50.31 H new ATOM 0 HG3 LYS A 17 -7.204 -1.332 -11.002 1.00 50.31 H new ATOM 0 HD2 LYS A 17 -8.595 -1.857 -9.096 1.00 24.20 H new ATOM 0 HD3 LYS A 17 -8.823 -0.162 -8.712 1.00 24.20 H new ATOM 0 HE2 LYS A 17 -10.153 0.199 -10.705 1.00 5.42 H new ATOM 0 HE3 LYS A 17 -9.739 -1.380 -11.343 1.00 5.42 H new ATOM 0 HZ1 LYS A 17 -11.945 -1.375 -10.378 1.00 22.14 H new ATOM 0 HZ2 LYS A 17 -10.928 -2.408 -9.493 1.00 22.14 H new ATOM 0 HZ3 LYS A 17 -11.329 -0.878 -8.876 1.00 22.14 H new ATOM 280 N ASN A 18 -3.362 1.533 -9.829 1.00 20.43 N ATOM 281 CA ASN A 18 -2.357 2.336 -9.143 1.00 45.42 C ATOM 282 C ASN A 18 -2.992 3.178 -8.041 1.00 21.03 C ATOM 283 O ASN A 18 -4.176 3.032 -7.739 1.00 35.12 O ATOM 284 CB ASN A 18 -1.633 3.244 -10.140 1.00 24.10 C ATOM 285 CG ASN A 18 -2.400 4.521 -10.422 1.00 74.24 C ATOM 286 OD1 ASN A 18 -1.996 5.606 -10.006 1.00 11.44 O ATOM 287 ND2 ASN A 18 -3.515 4.396 -11.134 1.00 22.13 N ATOM 0 H ASN A 18 -3.633 1.889 -10.746 1.00 20.43 H new ATOM 0 HA ASN A 18 -1.635 1.658 -8.687 1.00 45.42 H new ATOM 0 HB2 ASN A 18 -0.647 3.495 -9.749 1.00 24.10 H new ATOM 0 HB3 ASN A 18 -1.478 2.703 -11.073 1.00 24.10 H new ATOM 0 HD21 ASN A 18 -4.074 5.220 -11.356 1.00 22.13 H new ATOM 0 HD22 ASN A 18 -3.812 3.476 -11.459 1.00 22.13 H new ATOM 294 N ASP A 19 -2.197 4.059 -7.444 1.00 24.11 N ATOM 295 CA ASP A 19 -2.681 4.926 -6.376 1.00 30.31 C ATOM 296 C ASP A 19 -3.890 5.733 -6.837 1.00 74.25 C ATOM 297 O ASP A 19 -4.822 5.968 -6.069 1.00 32.23 O ATOM 298 CB ASP A 19 -1.570 5.869 -5.912 1.00 21.31 C ATOM 299 CG ASP A 19 -1.098 6.795 -7.016 1.00 30.24 C ATOM 300 OD1 ASP A 19 -0.393 6.318 -7.929 1.00 24.43 O ATOM 301 OD2 ASP A 19 -1.433 7.997 -6.966 1.00 34.12 O ATOM 0 H ASP A 19 -1.214 4.192 -7.682 1.00 24.11 H new ATOM 0 HA ASP A 19 -2.985 4.296 -5.540 1.00 30.31 H new ATOM 0 HB2 ASP A 19 -1.929 6.463 -5.072 1.00 21.31 H new ATOM 0 HB3 ASP A 19 -0.727 5.281 -5.549 1.00 21.31 H new ATOM 306 N ALA A 20 -3.868 6.155 -8.097 1.00 43.23 N ATOM 307 CA ALA A 20 -4.962 6.935 -8.661 1.00 53.05 C ATOM 308 C ALA A 20 -6.216 6.082 -8.827 1.00 3.44 C ATOM 309 O ALA A 20 -7.300 6.600 -9.093 1.00 23.25 O ATOM 310 CB ALA A 20 -4.550 7.534 -9.998 1.00 5.33 C ATOM 0 H ALA A 20 -3.104 5.969 -8.747 1.00 43.23 H new ATOM 0 HA ALA A 20 -5.192 7.744 -7.968 1.00 53.05 H new ATOM 0 HB1 ALA A 20 -5.377 8.114 -10.407 1.00 5.33 H new ATOM 0 HB2 ALA A 20 -3.687 8.184 -9.855 1.00 5.33 H new ATOM 0 HB3 ALA A 20 -4.290 6.734 -10.691 1.00 5.33 H new ATOM 316 N GLY A 21 -6.060 4.771 -8.668 1.00 5.53 N ATOM 317 CA GLY A 21 -7.187 3.868 -8.804 1.00 11.22 C ATOM 318 C GLY A 21 -7.463 3.499 -10.248 1.00 30.22 C ATOM 319 O GLY A 21 -8.333 2.675 -10.531 1.00 22.42 O ATOM 0 H GLY A 21 -5.173 4.319 -8.447 1.00 5.53 H new ATOM 0 HA2 GLY A 21 -6.993 2.961 -8.231 1.00 11.22 H new ATOM 0 HA3 GLY A 21 -8.075 4.333 -8.375 1.00 11.22 H new ATOM 323 N LYS A 22 -6.722 4.111 -11.165 1.00 72.03 N ATOM 324 CA LYS A 22 -6.891 3.843 -12.589 1.00 4.23 C ATOM 325 C LYS A 22 -6.342 2.467 -12.952 1.00 42.22 C ATOM 326 O LYS A 22 -5.347 2.016 -12.385 1.00 21.32 O ATOM 327 CB LYS A 22 -6.187 4.920 -13.418 1.00 30.01 C ATOM 328 CG LYS A 22 -6.952 6.230 -13.489 1.00 14.02 C ATOM 329 CD LYS A 22 -8.299 6.053 -14.170 1.00 42.05 C ATOM 330 CE LYS A 22 -9.441 6.512 -13.276 1.00 63.45 C ATOM 331 NZ LYS A 22 -10.728 5.857 -13.641 1.00 42.32 N ATOM 0 H LYS A 22 -5.998 4.796 -10.948 1.00 72.03 H new ATOM 0 HA LYS A 22 -7.958 3.860 -12.813 1.00 4.23 H new ATOM 0 HB2 LYS A 22 -5.201 5.107 -12.993 1.00 30.01 H new ATOM 0 HB3 LYS A 22 -6.032 4.544 -14.429 1.00 30.01 H new ATOM 0 HG2 LYS A 22 -7.101 6.621 -12.482 1.00 14.02 H new ATOM 0 HG3 LYS A 22 -6.362 6.968 -14.033 1.00 14.02 H new ATOM 0 HD2 LYS A 22 -8.314 6.620 -15.101 1.00 42.05 H new ATOM 0 HD3 LYS A 22 -8.440 5.005 -14.433 1.00 42.05 H new ATOM 0 HE2 LYS A 22 -9.201 6.288 -12.237 1.00 63.45 H new ATOM 0 HE3 LYS A 22 -9.550 7.594 -13.352 1.00 63.45 H new ATOM 0 HZ1 LYS A 22 -11.481 6.196 -13.009 1.00 42.32 H new ATOM 0 HZ2 LYS A 22 -10.970 6.091 -14.625 1.00 42.32 H new ATOM 0 HZ3 LYS A 22 -10.633 4.826 -13.544 1.00 42.32 H new ATOM 345 N ASP A 23 -6.995 1.807 -13.902 1.00 33.35 N ATOM 346 CA ASP A 23 -6.571 0.483 -14.343 1.00 1.05 C ATOM 347 C ASP A 23 -5.389 0.583 -15.302 1.00 72.11 C ATOM 348 O ASP A 23 -5.490 1.191 -16.368 1.00 51.40 O ATOM 349 CB ASP A 23 -7.732 -0.249 -15.018 1.00 24.44 C ATOM 350 CG ASP A 23 -8.208 0.454 -16.273 1.00 15.31 C ATOM 351 OD1 ASP A 23 -8.972 1.435 -16.150 1.00 3.40 O ATOM 352 OD2 ASP A 23 -7.818 0.025 -17.378 1.00 61.42 O ATOM 0 H ASP A 23 -7.820 2.167 -14.382 1.00 33.35 H new ATOM 0 HA ASP A 23 -6.257 -0.082 -13.466 1.00 1.05 H new ATOM 0 HB2 ASP A 23 -7.421 -1.263 -15.269 1.00 24.44 H new ATOM 0 HB3 ASP A 23 -8.561 -0.334 -14.316 1.00 24.44 H new ATOM 357 N THR A 24 -4.268 -0.018 -14.916 1.00 43.14 N ATOM 358 CA THR A 24 -3.066 0.005 -15.741 1.00 1.14 C ATOM 359 C THR A 24 -2.563 -1.407 -16.019 1.00 11.21 C ATOM 360 O THR A 24 -2.445 -2.226 -15.107 1.00 51.41 O ATOM 361 CB THR A 24 -1.941 0.816 -15.070 1.00 64.25 C ATOM 362 OG1 THR A 24 -2.485 1.979 -14.437 1.00 31.33 O ATOM 363 CG2 THR A 24 -0.892 1.232 -16.091 1.00 52.31 C ATOM 0 H THR A 24 -4.167 -0.527 -14.038 1.00 43.14 H new ATOM 0 HA THR A 24 -3.337 0.483 -16.682 1.00 1.14 H new ATOM 0 HB THR A 24 -1.466 0.184 -14.320 1.00 64.25 H new ATOM 0 HG1 THR A 24 -1.763 2.488 -14.012 1.00 31.33 H new ATOM 0 HG21 THR A 24 -0.108 1.803 -15.595 1.00 52.31 H new ATOM 0 HG22 THR A 24 -0.459 0.343 -16.550 1.00 52.31 H new ATOM 0 HG23 THR A 24 -1.357 1.848 -16.861 1.00 52.31 H new ATOM 371 N PHE A 25 -2.267 -1.686 -17.284 1.00 52.21 N ATOM 372 CA PHE A 25 -1.777 -3.000 -17.683 1.00 23.04 C ATOM 373 C PHE A 25 -0.322 -2.923 -18.136 1.00 23.15 C ATOM 374 O PHE A 25 0.106 -1.927 -18.720 1.00 13.14 O ATOM 375 CB PHE A 25 -2.643 -3.572 -18.807 1.00 11.23 C ATOM 376 CG PHE A 25 -2.871 -2.609 -19.937 1.00 25.10 C ATOM 377 CD1 PHE A 25 -1.938 -2.482 -20.954 1.00 53.22 C ATOM 378 CD2 PHE A 25 -4.017 -1.832 -19.983 1.00 23.04 C ATOM 379 CE1 PHE A 25 -2.145 -1.596 -21.995 1.00 21.12 C ATOM 380 CE2 PHE A 25 -4.229 -0.945 -21.021 1.00 41.11 C ATOM 381 CZ PHE A 25 -3.292 -0.828 -22.029 1.00 51.31 C ATOM 0 H PHE A 25 -2.358 -1.019 -18.051 1.00 52.21 H new ATOM 0 HA PHE A 25 -1.836 -3.660 -16.817 1.00 23.04 H new ATOM 0 HB2 PHE A 25 -2.169 -4.473 -19.198 1.00 11.23 H new ATOM 0 HB3 PHE A 25 -3.607 -3.872 -18.396 1.00 11.23 H new ATOM 0 HD1 PHE A 25 -1.040 -3.081 -20.933 1.00 53.22 H new ATOM 0 HD2 PHE A 25 -4.754 -1.921 -19.198 1.00 23.04 H new ATOM 0 HE1 PHE A 25 -1.410 -1.505 -22.781 1.00 21.12 H new ATOM 0 HE2 PHE A 25 -5.126 -0.344 -21.044 1.00 41.11 H new ATOM 0 HZ PHE A 25 -3.456 -0.137 -22.843 1.00 51.31 H new ATOM 391 N ILE A 26 0.434 -3.981 -17.861 1.00 73.33 N ATOM 392 CA ILE A 26 1.840 -4.034 -18.241 1.00 21.34 C ATOM 393 C ILE A 26 2.253 -5.451 -18.625 1.00 32.11 C ATOM 394 O ILE A 26 1.686 -6.429 -18.137 1.00 31.01 O ATOM 395 CB ILE A 26 2.750 -3.538 -17.101 1.00 54.12 C ATOM 396 CG1 ILE A 26 4.191 -3.396 -17.595 1.00 12.12 C ATOM 397 CG2 ILE A 26 2.681 -4.490 -15.916 1.00 42.42 C ATOM 398 CD1 ILE A 26 4.905 -2.186 -17.034 1.00 61.03 C ATOM 0 H ILE A 26 0.096 -4.813 -17.377 1.00 73.33 H new ATOM 0 HA ILE A 26 1.959 -3.377 -19.103 1.00 21.34 H new ATOM 0 HB ILE A 26 2.400 -2.559 -16.776 1.00 54.12 H new ATOM 0 HG12 ILE A 26 4.749 -4.293 -17.327 1.00 12.12 H new ATOM 0 HG13 ILE A 26 4.189 -3.335 -18.683 1.00 12.12 H new ATOM 0 HG21 ILE A 26 3.329 -4.126 -15.119 1.00 42.42 H new ATOM 0 HG22 ILE A 26 1.655 -4.545 -15.553 1.00 42.42 H new ATOM 0 HG23 ILE A 26 3.010 -5.482 -16.226 1.00 42.42 H new ATOM 0 HD11 ILE A 26 5.921 -2.149 -17.427 1.00 61.03 H new ATOM 0 HD12 ILE A 26 4.370 -1.281 -17.324 1.00 61.03 H new ATOM 0 HD13 ILE A 26 4.939 -2.255 -15.947 1.00 61.03 H new ATOM 410 N LYS A 27 3.246 -5.555 -19.502 1.00 15.11 N ATOM 411 CA LYS A 27 3.738 -6.852 -19.951 1.00 2.33 C ATOM 412 C LYS A 27 4.557 -7.531 -18.858 1.00 3.54 C ATOM 413 O LYS A 27 5.238 -6.867 -18.075 1.00 43.22 O ATOM 414 CB LYS A 27 4.588 -6.688 -21.213 1.00 23.52 C ATOM 415 CG LYS A 27 3.811 -6.159 -22.405 1.00 50.33 C ATOM 416 CD LYS A 27 3.819 -4.640 -22.446 1.00 50.20 C ATOM 417 CE LYS A 27 5.235 -4.092 -22.536 1.00 61.11 C ATOM 418 NZ LYS A 27 5.419 -3.224 -23.732 1.00 62.53 N ATOM 0 H LYS A 27 3.726 -4.756 -19.916 1.00 15.11 H new ATOM 0 HA LYS A 27 2.877 -7.481 -20.179 1.00 2.33 H new ATOM 0 HB2 LYS A 27 5.414 -6.010 -20.999 1.00 23.52 H new ATOM 0 HB3 LYS A 27 5.026 -7.652 -21.474 1.00 23.52 H new ATOM 0 HG2 LYS A 27 4.244 -6.551 -23.325 1.00 50.33 H new ATOM 0 HG3 LYS A 27 2.783 -6.517 -22.358 1.00 50.33 H new ATOM 0 HD2 LYS A 27 3.239 -4.295 -23.302 1.00 50.20 H new ATOM 0 HD3 LYS A 27 3.332 -4.248 -21.553 1.00 50.20 H new ATOM 0 HE2 LYS A 27 5.462 -3.522 -21.635 1.00 61.11 H new ATOM 0 HE3 LYS A 27 5.943 -4.920 -22.576 1.00 61.11 H new ATOM 0 HZ1 LYS A 27 6.397 -2.870 -23.757 1.00 62.53 H new ATOM 0 HZ2 LYS A 27 5.228 -3.775 -24.593 1.00 62.53 H new ATOM 0 HZ3 LYS A 27 4.761 -2.420 -23.682 1.00 62.53 H new ATOM 432 N CYS A 28 4.488 -8.857 -18.810 1.00 1.30 N ATOM 433 CA CYS A 28 5.224 -9.626 -17.814 1.00 32.02 C ATOM 434 C CYS A 28 6.470 -10.258 -18.426 1.00 44.14 C ATOM 435 O CYS A 28 6.590 -10.402 -19.643 1.00 73.03 O ATOM 436 CB CYS A 28 4.329 -10.713 -17.216 1.00 31.32 C ATOM 437 SG CYS A 28 3.341 -10.161 -15.788 1.00 23.41 S ATOM 0 H CYS A 28 3.929 -9.422 -19.450 1.00 1.30 H new ATOM 0 HA CYS A 28 5.536 -8.944 -17.023 1.00 32.02 H new ATOM 0 HB2 CYS A 28 3.655 -11.080 -17.990 1.00 31.32 H new ATOM 0 HB3 CYS A 28 4.952 -11.554 -16.910 1.00 31.32 H new ATOM 442 N PRO A 29 7.422 -10.645 -17.564 1.00 43.51 N ATOM 443 CA PRO A 29 8.676 -11.268 -17.997 1.00 5.02 C ATOM 444 C PRO A 29 8.465 -12.675 -18.546 1.00 43.33 C ATOM 445 O PRO A 29 7.659 -13.443 -18.021 1.00 63.12 O ATOM 446 CB PRO A 29 9.510 -11.315 -16.714 1.00 45.41 C ATOM 447 CG PRO A 29 8.509 -11.323 -15.611 1.00 71.43 C ATOM 448 CD PRO A 29 7.347 -10.503 -16.100 1.00 62.43 C ATOM 0 HA PRO A 29 9.147 -10.714 -18.809 1.00 5.02 H new ATOM 0 HB2 PRO A 29 10.140 -12.204 -16.684 1.00 45.41 H new ATOM 0 HB3 PRO A 29 10.173 -10.453 -16.641 1.00 45.41 H new ATOM 0 HG2 PRO A 29 8.197 -12.340 -15.375 1.00 71.43 H new ATOM 0 HG3 PRO A 29 8.930 -10.899 -14.699 1.00 71.43 H new ATOM 0 HD2 PRO A 29 6.400 -10.874 -15.708 1.00 62.43 H new ATOM 0 HD3 PRO A 29 7.433 -9.461 -15.792 1.00 62.43 H new ATOM 456 N LYS A 30 9.195 -13.007 -19.606 1.00 54.51 N ATOM 457 CA LYS A 30 9.089 -14.322 -20.227 1.00 1.33 C ATOM 458 C LYS A 30 10.037 -15.315 -19.562 1.00 11.34 C ATOM 459 O LYS A 30 10.229 -16.428 -20.051 1.00 43.12 O ATOM 460 CB LYS A 30 9.398 -14.229 -21.723 1.00 3.14 C ATOM 461 CG LYS A 30 8.175 -13.957 -22.581 1.00 30.31 C ATOM 462 CD LYS A 30 8.197 -14.779 -23.859 1.00 34.44 C ATOM 463 CE LYS A 30 7.116 -14.329 -24.829 1.00 74.23 C ATOM 464 NZ LYS A 30 7.661 -14.089 -26.194 1.00 72.42 N ATOM 0 H LYS A 30 9.867 -12.383 -20.053 1.00 54.51 H new ATOM 0 HA LYS A 30 8.067 -14.677 -20.095 1.00 1.33 H new ATOM 0 HB2 LYS A 30 10.129 -13.437 -21.886 1.00 3.14 H new ATOM 0 HB3 LYS A 30 9.860 -15.161 -22.049 1.00 3.14 H new ATOM 0 HG2 LYS A 30 7.273 -14.188 -22.014 1.00 30.31 H new ATOM 0 HG3 LYS A 30 8.132 -12.897 -22.830 1.00 30.31 H new ATOM 0 HD2 LYS A 30 9.174 -14.689 -24.334 1.00 34.44 H new ATOM 0 HD3 LYS A 30 8.055 -15.833 -23.618 1.00 34.44 H new ATOM 0 HE2 LYS A 30 6.334 -15.087 -24.878 1.00 74.23 H new ATOM 0 HE3 LYS A 30 6.652 -13.415 -24.457 1.00 74.23 H new ATOM 0 HZ1 LYS A 30 6.893 -13.784 -26.826 1.00 72.42 H new ATOM 0 HZ2 LYS A 30 8.390 -13.348 -26.152 1.00 72.42 H new ATOM 0 HZ3 LYS A 30 8.081 -14.967 -26.559 1.00 72.42 H new ATOM 478 N PHE A 31 10.626 -14.905 -18.443 1.00 34.43 N ATOM 479 CA PHE A 31 11.553 -15.760 -17.710 1.00 41.42 C ATOM 480 C PHE A 31 10.801 -16.819 -16.911 1.00 34.43 C ATOM 481 O PHE A 31 9.700 -16.574 -16.416 1.00 23.10 O ATOM 482 CB PHE A 31 12.422 -14.919 -16.773 1.00 1.24 C ATOM 483 CG PHE A 31 13.692 -14.430 -17.409 1.00 55.03 C ATOM 484 CD1 PHE A 31 13.688 -13.305 -18.218 1.00 12.42 C ATOM 485 CD2 PHE A 31 14.889 -15.095 -17.199 1.00 75.31 C ATOM 486 CE1 PHE A 31 14.854 -12.853 -18.805 1.00 65.35 C ATOM 487 CE2 PHE A 31 16.058 -14.648 -17.784 1.00 25.32 C ATOM 488 CZ PHE A 31 16.041 -13.525 -18.587 1.00 64.13 C ATOM 0 H PHE A 31 10.478 -13.987 -18.024 1.00 34.43 H new ATOM 0 HA PHE A 31 12.193 -16.264 -18.434 1.00 41.42 H new ATOM 0 HB2 PHE A 31 11.845 -14.061 -16.428 1.00 1.24 H new ATOM 0 HB3 PHE A 31 12.671 -15.511 -15.892 1.00 1.24 H new ATOM 0 HD1 PHE A 31 12.763 -12.776 -18.392 1.00 12.42 H new ATOM 0 HD2 PHE A 31 14.909 -15.973 -16.571 1.00 75.31 H new ATOM 0 HE1 PHE A 31 14.838 -11.975 -19.434 1.00 65.35 H new ATOM 0 HE2 PHE A 31 16.984 -15.176 -17.613 1.00 25.32 H new ATOM 0 HZ PHE A 31 16.954 -13.173 -19.044 1.00 64.13 H new ATOM 498 N ASP A 32 11.402 -17.998 -16.789 1.00 51.34 N ATOM 499 CA ASP A 32 10.790 -19.096 -16.050 1.00 40.21 C ATOM 500 C ASP A 32 10.575 -18.714 -14.589 1.00 5.02 C ATOM 501 O ASP A 32 9.793 -19.346 -13.881 1.00 14.33 O ATOM 502 CB ASP A 32 11.663 -20.348 -16.140 1.00 61.30 C ATOM 503 CG ASP A 32 11.203 -21.298 -17.228 1.00 74.22 C ATOM 504 OD1 ASP A 32 11.525 -21.049 -18.409 1.00 74.00 O ATOM 505 OD2 ASP A 32 10.521 -22.291 -16.899 1.00 71.10 O ATOM 0 H ASP A 32 12.313 -18.218 -17.193 1.00 51.34 H new ATOM 0 HA ASP A 32 9.819 -19.307 -16.498 1.00 40.21 H new ATOM 0 HB2 ASP A 32 12.695 -20.055 -16.331 1.00 61.30 H new ATOM 0 HB3 ASP A 32 11.651 -20.866 -15.181 1.00 61.30 H new ATOM 510 N ASN A 33 11.278 -17.677 -14.144 1.00 55.33 N ATOM 511 CA ASN A 33 11.165 -17.212 -12.767 1.00 1.35 C ATOM 512 C ASN A 33 9.795 -16.591 -12.512 1.00 40.52 C ATOM 513 O ASN A 33 9.255 -16.680 -11.409 1.00 44.21 O ATOM 514 CB ASN A 33 12.264 -16.193 -12.459 1.00 25.02 C ATOM 515 CG ASN A 33 13.625 -16.644 -12.954 1.00 42.51 C ATOM 516 OD1 ASN A 33 14.094 -17.729 -12.612 1.00 65.00 O ATOM 517 ND2 ASN A 33 14.266 -15.809 -13.764 1.00 52.22 N ATOM 0 H ASN A 33 11.932 -17.143 -14.717 1.00 55.33 H new ATOM 0 HA ASN A 33 11.282 -18.073 -12.109 1.00 1.35 H new ATOM 0 HB2 ASN A 33 12.010 -15.239 -12.920 1.00 25.02 H new ATOM 0 HB3 ASN A 33 12.309 -16.025 -11.383 1.00 25.02 H new ATOM 0 HD21 ASN A 33 15.186 -16.058 -14.129 1.00 52.22 H new ATOM 0 HD22 ASN A 33 13.839 -14.919 -14.021 1.00 52.22 H new ATOM 524 N LYS A 34 9.237 -15.961 -13.541 1.00 32.14 N ATOM 525 CA LYS A 34 7.929 -15.326 -13.431 1.00 72.11 C ATOM 526 C LYS A 34 7.278 -15.181 -14.803 1.00 1.30 C ATOM 527 O LYS A 34 7.855 -14.589 -15.716 1.00 13.02 O ATOM 528 CB LYS A 34 8.060 -13.953 -12.769 1.00 13.32 C ATOM 529 CG LYS A 34 8.127 -14.012 -11.253 1.00 21.54 C ATOM 530 CD LYS A 34 9.543 -13.792 -10.748 1.00 43.43 C ATOM 531 CE LYS A 34 10.000 -12.359 -10.980 1.00 24.51 C ATOM 532 NZ LYS A 34 11.030 -12.272 -12.052 1.00 72.55 N ATOM 0 H LYS A 34 9.671 -15.877 -14.460 1.00 32.14 H new ATOM 0 HA LYS A 34 7.295 -15.961 -12.813 1.00 72.11 H new ATOM 0 HB2 LYS A 34 8.958 -13.462 -13.145 1.00 13.32 H new ATOM 0 HB3 LYS A 34 7.212 -13.335 -13.063 1.00 13.32 H new ATOM 0 HG2 LYS A 34 7.467 -13.255 -10.829 1.00 21.54 H new ATOM 0 HG3 LYS A 34 7.764 -14.980 -10.909 1.00 21.54 H new ATOM 0 HD2 LYS A 34 9.591 -14.023 -9.684 1.00 43.43 H new ATOM 0 HD3 LYS A 34 10.222 -14.478 -11.254 1.00 43.43 H new ATOM 0 HE2 LYS A 34 9.142 -11.743 -11.250 1.00 24.51 H new ATOM 0 HE3 LYS A 34 10.405 -11.952 -10.053 1.00 24.51 H new ATOM 0 HZ1 LYS A 34 11.693 -11.501 -11.835 1.00 72.55 H new ATOM 0 HZ2 LYS A 34 11.551 -13.171 -12.107 1.00 72.55 H new ATOM 0 HZ3 LYS A 34 10.567 -12.084 -12.964 1.00 72.55 H new ATOM 546 N LYS A 35 6.073 -15.723 -14.942 1.00 10.04 N ATOM 547 CA LYS A 35 5.342 -15.652 -16.201 1.00 14.31 C ATOM 548 C LYS A 35 3.880 -16.040 -16.004 1.00 13.23 C ATOM 549 O LYS A 35 3.483 -16.478 -14.923 1.00 63.24 O ATOM 550 CB LYS A 35 5.988 -16.568 -17.242 1.00 74.32 C ATOM 551 CG LYS A 35 5.850 -18.046 -16.921 1.00 34.43 C ATOM 552 CD LYS A 35 6.006 -18.905 -18.165 1.00 11.32 C ATOM 553 CE LYS A 35 7.164 -19.881 -18.026 1.00 71.05 C ATOM 554 NZ LYS A 35 6.891 -21.168 -18.724 1.00 53.12 N ATOM 0 H LYS A 35 5.582 -16.217 -14.197 1.00 10.04 H new ATOM 0 HA LYS A 35 5.382 -14.623 -16.558 1.00 14.31 H new ATOM 0 HB2 LYS A 35 5.537 -16.373 -18.215 1.00 74.32 H new ATOM 0 HB3 LYS A 35 7.046 -16.320 -17.325 1.00 74.32 H new ATOM 0 HG2 LYS A 35 6.602 -18.331 -16.185 1.00 34.43 H new ATOM 0 HG3 LYS A 35 4.875 -18.232 -16.470 1.00 34.43 H new ATOM 0 HD2 LYS A 35 5.083 -19.457 -18.346 1.00 11.32 H new ATOM 0 HD3 LYS A 35 6.170 -18.265 -19.032 1.00 11.32 H new ATOM 0 HE2 LYS A 35 8.069 -19.431 -18.434 1.00 71.05 H new ATOM 0 HE3 LYS A 35 7.352 -20.073 -16.970 1.00 71.05 H new ATOM 0 HZ1 LYS A 35 7.704 -21.806 -18.606 1.00 53.12 H new ATOM 0 HZ2 LYS A 35 6.042 -21.610 -18.318 1.00 53.12 H new ATOM 0 HZ3 LYS A 35 6.737 -20.988 -19.737 1.00 53.12 H new ATOM 568 N CYS A 36 3.082 -15.877 -17.054 1.00 63.22 N ATOM 569 CA CYS A 36 1.664 -16.211 -16.997 1.00 63.35 C ATOM 570 C CYS A 36 1.403 -17.582 -17.616 1.00 42.43 C ATOM 571 O CYS A 36 1.667 -17.802 -18.799 1.00 23.53 O ATOM 572 CB CYS A 36 0.839 -15.147 -17.722 1.00 53.53 C ATOM 573 SG CYS A 36 0.944 -13.488 -16.976 1.00 23.23 S ATOM 0 H CYS A 36 3.394 -15.515 -17.955 1.00 63.22 H new ATOM 0 HA CYS A 36 1.365 -16.242 -15.949 1.00 63.35 H new ATOM 0 HB2 CYS A 36 1.171 -15.089 -18.759 1.00 53.53 H new ATOM 0 HB3 CYS A 36 -0.205 -15.461 -17.739 1.00 53.53 H new ATOM 578 N THR A 37 0.882 -18.500 -16.808 1.00 41.05 N ATOM 579 CA THR A 37 0.586 -19.849 -17.275 1.00 53.50 C ATOM 580 C THR A 37 -0.893 -20.001 -17.612 1.00 71.03 C ATOM 581 O THR A 37 -1.261 -20.759 -18.510 1.00 70.10 O ATOM 582 CB THR A 37 0.972 -20.905 -16.222 1.00 41.35 C ATOM 583 OG1 THR A 37 0.696 -20.410 -14.907 1.00 41.35 O ATOM 584 CG2 THR A 37 2.445 -21.267 -16.335 1.00 3.23 C ATOM 0 H THR A 37 0.656 -18.334 -15.827 1.00 41.05 H new ATOM 0 HA THR A 37 1.180 -20.010 -18.175 1.00 53.50 H new ATOM 0 HB THR A 37 0.379 -21.801 -16.403 1.00 41.35 H new ATOM 0 HG1 THR A 37 0.943 -21.088 -14.244 1.00 41.35 H new ATOM 0 HG21 THR A 37 2.695 -22.014 -15.582 1.00 3.23 H new ATOM 0 HG22 THR A 37 2.645 -21.671 -17.327 1.00 3.23 H new ATOM 0 HG23 THR A 37 3.052 -20.375 -16.177 1.00 3.23 H new ATOM 592 N LYS A 38 -1.738 -19.276 -16.888 1.00 12.42 N ATOM 593 CA LYS A 38 -3.178 -19.328 -17.111 1.00 32.10 C ATOM 594 C LYS A 38 -3.779 -17.926 -17.117 1.00 72.22 C ATOM 595 O LYS A 38 -3.157 -16.972 -16.650 1.00 14.13 O ATOM 596 CB LYS A 38 -3.852 -20.179 -16.032 1.00 3.55 C ATOM 597 CG LYS A 38 -4.755 -21.265 -16.589 1.00 25.42 C ATOM 598 CD LYS A 38 -5.764 -21.736 -15.555 1.00 54.44 C ATOM 599 CE LYS A 38 -6.675 -22.817 -16.117 1.00 42.35 C ATOM 600 NZ LYS A 38 -6.009 -24.149 -16.135 1.00 1.41 N ATOM 0 H LYS A 38 -1.450 -18.644 -16.141 1.00 12.42 H new ATOM 0 HA LYS A 38 -3.353 -19.783 -18.086 1.00 32.10 H new ATOM 0 HB2 LYS A 38 -3.083 -20.640 -15.412 1.00 3.55 H new ATOM 0 HB3 LYS A 38 -4.438 -19.529 -15.382 1.00 3.55 H new ATOM 0 HG2 LYS A 38 -5.281 -20.888 -17.466 1.00 25.42 H new ATOM 0 HG3 LYS A 38 -4.150 -22.109 -16.919 1.00 25.42 H new ATOM 0 HD2 LYS A 38 -5.238 -22.120 -14.681 1.00 54.44 H new ATOM 0 HD3 LYS A 38 -6.365 -20.890 -15.220 1.00 54.44 H new ATOM 0 HE2 LYS A 38 -7.584 -22.873 -15.518 1.00 42.35 H new ATOM 0 HE3 LYS A 38 -6.976 -22.548 -17.129 1.00 42.35 H new ATOM 0 HZ1 LYS A 38 -6.662 -24.858 -16.525 1.00 1.41 H new ATOM 0 HZ2 LYS A 38 -5.155 -24.102 -16.727 1.00 1.41 H new ATOM 0 HZ3 LYS A 38 -5.744 -24.418 -15.166 1.00 1.41 H new ATOM 614 N ASP A 39 -4.991 -17.810 -17.648 1.00 14.42 N ATOM 615 CA ASP A 39 -5.678 -16.524 -17.712 1.00 64.42 C ATOM 616 C ASP A 39 -6.272 -16.158 -16.356 1.00 55.52 C ATOM 617 O ASP A 39 -6.496 -17.023 -15.511 1.00 3.11 O ATOM 618 CB ASP A 39 -6.779 -16.563 -18.773 1.00 0.33 C ATOM 619 CG ASP A 39 -7.935 -17.460 -18.375 1.00 44.21 C ATOM 620 OD1 ASP A 39 -7.851 -18.680 -18.625 1.00 71.23 O ATOM 621 OD2 ASP A 39 -8.923 -16.941 -17.814 1.00 71.35 O ATOM 0 H ASP A 39 -5.518 -18.590 -18.040 1.00 14.42 H new ATOM 0 HA ASP A 39 -4.948 -15.762 -17.986 1.00 64.42 H new ATOM 0 HB2 ASP A 39 -7.150 -15.552 -18.945 1.00 0.33 H new ATOM 0 HB3 ASP A 39 -6.359 -16.913 -19.716 1.00 0.33 H new ATOM 626 N ASN A 40 -6.526 -14.868 -16.156 1.00 63.21 N ATOM 627 CA ASN A 40 -7.093 -14.386 -14.902 1.00 32.40 C ATOM 628 C ASN A 40 -6.131 -14.625 -13.742 1.00 71.53 C ATOM 629 O ASN A 40 -6.530 -14.610 -12.579 1.00 2.14 O ATOM 630 CB ASN A 40 -8.428 -15.079 -14.623 1.00 34.32 C ATOM 631 CG ASN A 40 -9.397 -14.186 -13.872 1.00 32.53 C ATOM 632 OD1 ASN A 40 -10.308 -13.605 -14.462 1.00 5.41 O ATOM 633 ND2 ASN A 40 -9.205 -14.074 -12.563 1.00 23.24 N ATOM 0 H ASN A 40 -6.348 -14.138 -16.846 1.00 63.21 H new ATOM 0 HA ASN A 40 -7.260 -13.313 -14.996 1.00 32.40 H new ATOM 0 HB2 ASN A 40 -8.879 -15.387 -15.567 1.00 34.32 H new ATOM 0 HB3 ASN A 40 -8.250 -15.985 -14.044 1.00 34.32 H new ATOM 0 HD21 ASN A 40 -9.826 -13.488 -12.005 1.00 23.24 H new ATOM 0 HD22 ASN A 40 -8.437 -14.574 -12.116 1.00 23.24 H new ATOM 640 N ASN A 41 -4.862 -14.846 -14.069 1.00 41.03 N ATOM 641 CA ASN A 41 -3.842 -15.088 -13.055 1.00 73.31 C ATOM 642 C ASN A 41 -3.743 -13.910 -12.091 1.00 35.12 C ATOM 643 O ASN A 41 -4.571 -12.999 -12.118 1.00 75.44 O ATOM 644 CB ASN A 41 -2.485 -15.336 -13.716 1.00 23.11 C ATOM 645 CG ASN A 41 -1.901 -16.687 -13.349 1.00 10.22 C ATOM 646 OD1 ASN A 41 -2.144 -17.205 -12.259 1.00 75.20 O ATOM 647 ND2 ASN A 41 -1.126 -17.263 -14.260 1.00 24.43 N ATOM 0 H ASN A 41 -4.515 -14.863 -15.028 1.00 41.03 H new ATOM 0 HA ASN A 41 -4.130 -15.974 -12.489 1.00 73.31 H new ATOM 0 HB2 ASN A 41 -2.594 -15.273 -14.799 1.00 23.11 H new ATOM 0 HB3 ASN A 41 -1.790 -14.550 -13.419 1.00 23.11 H new ATOM 0 HD21 ASN A 41 -0.704 -18.172 -14.070 1.00 24.43 H new ATOM 0 HD22 ASN A 41 -0.952 -16.796 -15.150 1.00 24.43 H new ATOM 654 N LYS A 42 -2.724 -13.934 -11.238 1.00 74.25 N ATOM 655 CA LYS A 42 -2.514 -12.868 -10.266 1.00 34.41 C ATOM 656 C LYS A 42 -1.037 -12.503 -10.170 1.00 25.24 C ATOM 657 O LYS A 42 -0.164 -13.356 -10.334 1.00 63.13 O ATOM 658 CB LYS A 42 -3.036 -13.294 -8.892 1.00 11.24 C ATOM 659 CG LYS A 42 -4.040 -12.323 -8.295 1.00 12.21 C ATOM 660 CD LYS A 42 -5.404 -12.456 -8.952 1.00 64.52 C ATOM 661 CE LYS A 42 -6.043 -13.801 -8.642 1.00 24.43 C ATOM 662 NZ LYS A 42 -7.525 -13.754 -8.771 1.00 74.13 N ATOM 0 H LYS A 42 -2.030 -14.681 -11.201 1.00 74.25 H new ATOM 0 HA LYS A 42 -3.066 -11.990 -10.601 1.00 34.41 H new ATOM 0 HB2 LYS A 42 -3.500 -14.277 -8.978 1.00 11.24 H new ATOM 0 HB3 LYS A 42 -2.193 -13.398 -8.209 1.00 11.24 H new ATOM 0 HG2 LYS A 42 -4.132 -12.506 -7.224 1.00 12.21 H new ATOM 0 HG3 LYS A 42 -3.676 -11.303 -8.414 1.00 12.21 H new ATOM 0 HD2 LYS A 42 -6.056 -11.654 -8.606 1.00 64.52 H new ATOM 0 HD3 LYS A 42 -5.302 -12.340 -10.031 1.00 64.52 H new ATOM 0 HE2 LYS A 42 -5.644 -14.557 -9.318 1.00 24.43 H new ATOM 0 HE3 LYS A 42 -5.776 -14.105 -7.630 1.00 24.43 H new ATOM 0 HZ1 LYS A 42 -7.922 -14.690 -8.552 1.00 74.13 H new ATOM 0 HZ2 LYS A 42 -7.909 -13.051 -8.108 1.00 74.13 H new ATOM 0 HZ3 LYS A 42 -7.781 -13.489 -9.744 1.00 74.13 H new ATOM 676 N CYS A 43 -0.762 -11.231 -9.901 1.00 34.13 N ATOM 677 CA CYS A 43 0.610 -10.753 -9.781 1.00 54.31 C ATOM 678 C CYS A 43 0.763 -9.836 -8.570 1.00 74.45 C ATOM 679 O CYS A 43 -0.205 -9.560 -7.860 1.00 24.32 O ATOM 680 CB CYS A 43 1.025 -10.010 -11.052 1.00 65.14 C ATOM 681 SG CYS A 43 0.264 -10.658 -12.575 1.00 33.10 S ATOM 0 H CYS A 43 -1.472 -10.512 -9.762 1.00 34.13 H new ATOM 0 HA CYS A 43 1.259 -11.618 -9.644 1.00 54.31 H new ATOM 0 HB2 CYS A 43 0.762 -8.957 -10.947 1.00 65.14 H new ATOM 0 HB3 CYS A 43 2.109 -10.059 -11.151 1.00 65.14 H new ATOM 686 N THR A 44 1.985 -9.367 -8.341 1.00 41.13 N ATOM 687 CA THR A 44 2.266 -8.483 -7.217 1.00 51.22 C ATOM 688 C THR A 44 3.135 -7.307 -7.647 1.00 2.53 C ATOM 689 O THR A 44 4.061 -7.464 -8.443 1.00 11.30 O ATOM 690 CB THR A 44 2.970 -9.236 -6.073 1.00 11.35 C ATOM 691 OG1 THR A 44 3.221 -10.591 -6.460 1.00 23.25 O ATOM 692 CG2 THR A 44 2.124 -9.212 -4.809 1.00 33.44 C ATOM 0 H THR A 44 2.796 -9.585 -8.919 1.00 41.13 H new ATOM 0 HA THR A 44 1.306 -8.110 -6.860 1.00 51.22 H new ATOM 0 HB THR A 44 3.917 -8.737 -5.867 1.00 11.35 H new ATOM 0 HG1 THR A 44 3.670 -11.062 -5.728 1.00 23.25 H new ATOM 0 HG21 THR A 44 2.641 -9.750 -4.015 1.00 33.44 H new ATOM 0 HG22 THR A 44 1.960 -8.179 -4.501 1.00 33.44 H new ATOM 0 HG23 THR A 44 1.164 -9.689 -5.005 1.00 33.44 H new ATOM 700 N VAL A 45 2.832 -6.127 -7.114 1.00 2.01 N ATOM 701 CA VAL A 45 3.588 -4.924 -7.441 1.00 54.40 C ATOM 702 C VAL A 45 3.632 -3.964 -6.257 1.00 63.02 C ATOM 703 O VAL A 45 2.597 -3.608 -5.694 1.00 51.44 O ATOM 704 CB VAL A 45 2.984 -4.195 -8.656 1.00 54.30 C ATOM 705 CG1 VAL A 45 3.763 -2.924 -8.958 1.00 14.52 C ATOM 706 CG2 VAL A 45 2.956 -5.113 -9.868 1.00 71.32 C ATOM 0 H VAL A 45 2.068 -5.979 -6.454 1.00 2.01 H new ATOM 0 HA VAL A 45 4.601 -5.243 -7.685 1.00 54.40 H new ATOM 0 HB VAL A 45 1.958 -3.915 -8.417 1.00 54.30 H new ATOM 0 HG11 VAL A 45 3.322 -2.423 -9.819 1.00 14.52 H new ATOM 0 HG12 VAL A 45 3.726 -2.261 -8.094 1.00 14.52 H new ATOM 0 HG13 VAL A 45 4.800 -3.177 -9.177 1.00 14.52 H new ATOM 0 HG21 VAL A 45 2.526 -4.582 -10.717 1.00 71.32 H new ATOM 0 HG22 VAL A 45 3.972 -5.425 -10.112 1.00 71.32 H new ATOM 0 HG23 VAL A 45 2.350 -5.991 -9.645 1.00 71.32 H new ATOM 716 N ASP A 46 4.838 -3.549 -5.885 1.00 11.04 N ATOM 717 CA ASP A 46 5.018 -2.629 -4.768 1.00 3.42 C ATOM 718 C ASP A 46 5.744 -1.364 -5.217 1.00 71.35 C ATOM 719 O ASP A 46 6.771 -1.431 -5.894 1.00 22.45 O ATOM 720 CB ASP A 46 5.800 -3.307 -3.641 1.00 53.34 C ATOM 721 CG ASP A 46 5.007 -3.384 -2.352 1.00 12.34 C ATOM 722 OD1 ASP A 46 4.885 -2.346 -1.668 1.00 54.00 O ATOM 723 OD2 ASP A 46 4.509 -4.482 -2.025 1.00 42.22 O ATOM 0 H ASP A 46 5.705 -3.835 -6.340 1.00 11.04 H new ATOM 0 HA ASP A 46 4.032 -2.349 -4.398 1.00 3.42 H new ATOM 0 HB2 ASP A 46 6.081 -4.313 -3.952 1.00 53.34 H new ATOM 0 HB3 ASP A 46 6.725 -2.758 -3.463 1.00 53.34 H new ATOM 728 N THR A 47 5.202 -0.211 -4.839 1.00 4.33 N ATOM 729 CA THR A 47 5.796 1.069 -5.204 1.00 43.04 C ATOM 730 C THR A 47 6.887 1.471 -4.219 1.00 24.44 C ATOM 731 O THR A 47 7.718 2.330 -4.513 1.00 51.52 O ATOM 732 CB THR A 47 4.736 2.185 -5.261 1.00 72.33 C ATOM 733 OG1 THR A 47 3.438 1.641 -4.995 1.00 1.11 O ATOM 734 CG2 THR A 47 4.737 2.864 -6.623 1.00 21.44 C ATOM 0 H THR A 47 4.352 -0.137 -4.280 1.00 4.33 H new ATOM 0 HA THR A 47 6.233 0.942 -6.194 1.00 43.04 H new ATOM 0 HB THR A 47 4.981 2.928 -4.502 1.00 72.33 H new ATOM 0 HG1 THR A 47 2.770 2.357 -5.031 1.00 1.11 H new ATOM 0 HG21 THR A 47 3.980 3.648 -6.639 1.00 21.44 H new ATOM 0 HG22 THR A 47 5.717 3.302 -6.811 1.00 21.44 H new ATOM 0 HG23 THR A 47 4.514 2.129 -7.396 1.00 21.44 H new ATOM 742 N TYR A 48 6.881 0.843 -3.048 1.00 34.11 N ATOM 743 CA TYR A 48 7.870 1.136 -2.017 1.00 55.55 C ATOM 744 C TYR A 48 9.156 0.353 -2.258 1.00 43.14 C ATOM 745 O TYR A 48 10.256 0.878 -2.090 1.00 22.21 O ATOM 746 CB TYR A 48 7.309 0.805 -0.634 1.00 32.44 C ATOM 747 CG TYR A 48 7.080 2.021 0.235 1.00 45.11 C ATOM 748 CD1 TYR A 48 8.118 2.576 0.974 1.00 14.01 C ATOM 749 CD2 TYR A 48 5.827 2.616 0.315 1.00 3.12 C ATOM 750 CE1 TYR A 48 7.913 3.687 1.769 1.00 22.15 C ATOM 751 CE2 TYR A 48 5.614 3.728 1.107 1.00 41.12 C ATOM 752 CZ TYR A 48 6.660 4.259 1.832 1.00 11.43 C ATOM 753 OH TYR A 48 6.453 5.367 2.622 1.00 35.13 O ATOM 0 H TYR A 48 6.202 0.127 -2.789 1.00 34.11 H new ATOM 0 HA TYR A 48 8.101 2.200 -2.062 1.00 55.55 H new ATOM 0 HB2 TYR A 48 6.366 0.271 -0.752 1.00 32.44 H new ATOM 0 HB3 TYR A 48 7.996 0.129 -0.125 1.00 32.44 H new ATOM 0 HD1 TYR A 48 9.101 2.131 0.926 1.00 14.01 H new ATOM 0 HD2 TYR A 48 5.006 2.202 -0.251 1.00 3.12 H new ATOM 0 HE1 TYR A 48 8.730 4.105 2.338 1.00 22.15 H new ATOM 0 HE2 TYR A 48 4.634 4.179 1.158 1.00 41.12 H new ATOM 0 HH TYR A 48 5.516 5.647 2.554 1.00 35.13 H new ATOM 763 N ASN A 49 9.009 -0.907 -2.655 1.00 11.04 N ATOM 764 CA ASN A 49 10.158 -1.764 -2.919 1.00 65.44 C ATOM 765 C ASN A 49 10.392 -1.913 -4.420 1.00 31.43 C ATOM 766 O ASN A 49 11.374 -2.517 -4.848 1.00 62.23 O ATOM 767 CB ASN A 49 9.951 -3.141 -2.285 1.00 60.20 C ATOM 768 CG ASN A 49 10.390 -3.181 -0.834 1.00 64.41 C ATOM 769 OD1 ASN A 49 10.961 -2.219 -0.320 1.00 35.13 O ATOM 770 ND2 ASN A 49 10.126 -4.299 -0.167 1.00 5.21 N ATOM 0 H ASN A 49 8.105 -1.357 -2.801 1.00 11.04 H new ATOM 0 HA ASN A 49 11.037 -1.296 -2.476 1.00 65.44 H new ATOM 0 HB2 ASN A 49 8.898 -3.414 -2.351 1.00 60.20 H new ATOM 0 HB3 ASN A 49 10.509 -3.886 -2.851 1.00 60.20 H new ATOM 0 HD21 ASN A 49 10.399 -4.385 0.812 1.00 5.21 H new ATOM 0 HD22 ASN A 49 9.650 -5.071 -0.634 1.00 5.21 H new ATOM 777 N ASN A 50 9.481 -1.358 -5.213 1.00 4.23 N ATOM 778 CA ASN A 50 9.588 -1.429 -6.666 1.00 12.45 C ATOM 779 C ASN A 50 9.779 -2.870 -7.127 1.00 73.14 C ATOM 780 O ASN A 50 10.376 -3.124 -8.173 1.00 2.41 O ATOM 781 CB ASN A 50 10.753 -0.566 -7.155 1.00 13.10 C ATOM 782 CG ASN A 50 10.480 0.060 -8.509 1.00 73.22 C ATOM 783 OD1 ASN A 50 9.387 0.567 -8.762 1.00 10.41 O ATOM 784 ND2 ASN A 50 11.475 0.026 -9.388 1.00 32.31 N ATOM 0 H ASN A 50 8.661 -0.855 -4.874 1.00 4.23 H new ATOM 0 HA ASN A 50 8.660 -1.050 -7.093 1.00 12.45 H new ATOM 0 HB2 ASN A 50 10.949 0.221 -6.427 1.00 13.10 H new ATOM 0 HB3 ASN A 50 11.654 -1.177 -7.215 1.00 13.10 H new ATOM 0 HD21 ASN A 50 11.350 0.431 -10.316 1.00 32.31 H new ATOM 0 HD22 ASN A 50 12.364 -0.405 -9.135 1.00 32.31 H new ATOM 791 N ALA A 51 9.266 -3.811 -6.341 1.00 2.55 N ATOM 792 CA ALA A 51 9.378 -5.226 -6.670 1.00 34.13 C ATOM 793 C ALA A 51 8.093 -5.744 -7.307 1.00 33.55 C ATOM 794 O ALA A 51 7.013 -5.641 -6.723 1.00 63.35 O ATOM 795 CB ALA A 51 9.714 -6.033 -5.424 1.00 43.42 C ATOM 0 H ALA A 51 8.769 -3.618 -5.472 1.00 2.55 H new ATOM 0 HA ALA A 51 10.185 -5.343 -7.394 1.00 34.13 H new ATOM 0 HB1 ALA A 51 9.795 -7.088 -5.685 1.00 43.42 H new ATOM 0 HB2 ALA A 51 10.662 -5.688 -5.012 1.00 43.42 H new ATOM 0 HB3 ALA A 51 8.926 -5.902 -4.682 1.00 43.42 H new ATOM 801 N VAL A 52 8.216 -6.302 -8.507 1.00 54.21 N ATOM 802 CA VAL A 52 7.064 -6.837 -9.223 1.00 52.32 C ATOM 803 C VAL A 52 7.248 -8.318 -9.532 1.00 63.22 C ATOM 804 O VAL A 52 8.324 -8.746 -9.951 1.00 30.21 O ATOM 805 CB VAL A 52 6.818 -6.076 -10.540 1.00 3.33 C ATOM 806 CG1 VAL A 52 8.128 -5.857 -11.282 1.00 53.31 C ATOM 807 CG2 VAL A 52 5.821 -6.826 -11.410 1.00 43.41 C ATOM 0 H VAL A 52 9.102 -6.395 -9.004 1.00 54.21 H new ATOM 0 HA VAL A 52 6.200 -6.709 -8.571 1.00 52.32 H new ATOM 0 HB VAL A 52 6.395 -5.100 -10.303 1.00 3.33 H new ATOM 0 HG11 VAL A 52 7.935 -5.318 -12.210 1.00 53.31 H new ATOM 0 HG12 VAL A 52 8.806 -5.275 -10.658 1.00 53.31 H new ATOM 0 HG13 VAL A 52 8.582 -6.821 -11.510 1.00 53.31 H new ATOM 0 HG21 VAL A 52 5.659 -6.274 -12.336 1.00 43.41 H new ATOM 0 HG22 VAL A 52 6.213 -7.816 -11.641 1.00 43.41 H new ATOM 0 HG23 VAL A 52 4.876 -6.925 -10.877 1.00 43.41 H new ATOM 817 N ASP A 53 6.192 -9.096 -9.323 1.00 60.34 N ATOM 818 CA ASP A 53 6.236 -10.531 -9.581 1.00 43.11 C ATOM 819 C ASP A 53 4.946 -11.004 -10.243 1.00 61.21 C ATOM 820 O ASP A 53 3.848 -10.644 -9.817 1.00 5.31 O ATOM 821 CB ASP A 53 6.467 -11.298 -8.278 1.00 53.10 C ATOM 822 CG ASP A 53 7.437 -12.450 -8.448 1.00 62.12 C ATOM 823 OD1 ASP A 53 8.662 -12.205 -8.414 1.00 35.02 O ATOM 824 OD2 ASP A 53 6.973 -13.597 -8.615 1.00 14.11 O ATOM 0 H ASP A 53 5.295 -8.757 -8.976 1.00 60.34 H new ATOM 0 HA ASP A 53 7.065 -10.728 -10.261 1.00 43.11 H new ATOM 0 HB2 ASP A 53 6.849 -10.614 -7.520 1.00 53.10 H new ATOM 0 HB3 ASP A 53 5.514 -11.680 -7.911 1.00 53.10 H new ATOM 829 N CYS A 54 5.085 -11.813 -11.288 1.00 44.02 N ATOM 830 CA CYS A 54 3.932 -12.335 -12.011 1.00 40.11 C ATOM 831 C CYS A 54 3.705 -13.808 -11.683 1.00 4.11 C ATOM 832 O CYS A 54 4.654 -14.552 -11.435 1.00 61.42 O ATOM 833 CB CYS A 54 4.127 -12.161 -13.519 1.00 21.14 C ATOM 834 SG CYS A 54 4.234 -10.425 -14.059 1.00 44.31 S ATOM 0 H CYS A 54 5.986 -12.121 -11.653 1.00 44.02 H new ATOM 0 HA CYS A 54 3.053 -11.772 -11.698 1.00 40.11 H new ATOM 0 HB2 CYS A 54 5.037 -12.681 -13.819 1.00 21.14 H new ATOM 0 HB3 CYS A 54 3.299 -12.642 -14.040 1.00 21.14 H new ATOM 839 N ASP A 55 2.443 -14.221 -11.684 1.00 12.24 N ATOM 840 CA ASP A 55 2.091 -15.605 -11.387 1.00 53.45 C ATOM 841 C ASP A 55 2.949 -16.569 -12.200 1.00 73.41 C ATOM 842 O ASP A 55 2.546 -17.704 -12.461 1.00 65.13 O ATOM 843 CB ASP A 55 0.610 -15.850 -11.679 1.00 75.12 C ATOM 844 CG ASP A 55 -0.131 -16.413 -10.482 1.00 62.00 C ATOM 845 OD1 ASP A 55 0.246 -17.507 -10.013 1.00 10.03 O ATOM 846 OD2 ASP A 55 -1.088 -15.760 -10.015 1.00 23.01 O ATOM 0 H ASP A 55 1.646 -13.618 -11.887 1.00 12.24 H new ATOM 0 HA ASP A 55 2.279 -15.784 -10.328 1.00 53.45 H new ATOM 0 HB2 ASP A 55 0.143 -14.913 -11.984 1.00 75.12 H new ATOM 0 HB3 ASP A 55 0.517 -16.540 -12.517 1.00 75.12 H new