USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 95 ASN :FLIP amide:sc= -0.119 F(o=-2.2!,f=-0.58) USER MOD Set 1.2: A 98 GLN :FLIP amide:sc= -0.461 F(o=-2.1,f=-0.58) USER MOD Single : A 50 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.517 K(o=0.52,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -173:sc= 1.23 USER MOD Single : A 54 SER OG : rot -48:sc= 0.234 USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0973) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0644 (180deg=-0.347) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= -0.108 (180deg=-0.664) USER MOD Single : A 83 TYR OH : rot -6:sc= 0.0153 USER MOD Single : A 84 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.12) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -26:sc= 0.115 USER MOD Single : A 92 THR OG1 : rot 13:sc= 0.979 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0519) USER MOD Single : A 100 ASN :FLIP amide:sc= 0.552 F(o=-0.31,f=0.55) USER MOD Single : A 103 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.4!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.0709) USER MOD Single : A 121 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.92) USER MOD Single : A 122 MET CE :methyl -127:sc= -0.555 (180deg=-1.02) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -20.312 4.966 1.150 1.00 0.00 N ATOM 2 CA ALA A 49 -21.250 4.082 1.880 1.00 0.00 C ATOM 3 C ALA A 49 -20.676 2.677 1.995 1.00 0.00 C ATOM 4 O ALA A 49 -19.685 2.361 1.336 1.00 0.00 O ATOM 5 CB ALA A 49 -22.604 4.052 1.184 1.00 0.00 C ATOM 0 HA ALA A 49 -21.389 4.480 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -23.281 3.398 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -23.019 5.059 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -22.482 3.677 0.168 1.00 0.00 H new ATOM 13 N ASN A 50 -21.321 1.849 2.822 1.00 0.00 N ATOM 14 CA ASN A 50 -20.861 0.488 3.113 1.00 0.00 C ATOM 15 C ASN A 50 -19.561 0.522 3.908 1.00 0.00 C ATOM 16 O ASN A 50 -18.483 0.717 3.343 1.00 0.00 O ATOM 17 CB ASN A 50 -20.677 -0.334 1.829 1.00 0.00 C ATOM 18 CG ASN A 50 -20.293 -1.776 2.111 1.00 0.00 C ATOM 19 OD1 ASN A 50 -21.152 -2.649 2.228 1.00 0.00 O ATOM 20 ND2 ASN A 50 -19.000 -2.034 2.234 1.00 0.00 N ATOM 0 H ASN A 50 -22.179 2.105 3.310 1.00 0.00 H new ATOM 0 HA ASN A 50 -21.631 0.002 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -21.602 -0.314 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -19.907 0.129 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -18.686 -2.984 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -18.318 -1.283 2.130 1.00 0.00 H new ATOM 27 N GLN A 51 -19.682 0.331 5.221 1.00 0.00 N ATOM 28 CA GLN A 51 -18.540 0.368 6.133 1.00 0.00 C ATOM 29 C GLN A 51 -17.982 1.798 6.215 1.00 0.00 C ATOM 30 O GLN A 51 -18.668 2.757 5.852 1.00 0.00 O ATOM 31 CB GLN A 51 -17.472 -0.645 5.684 1.00 0.00 C ATOM 32 CG GLN A 51 -16.546 -1.111 6.798 1.00 0.00 C ATOM 33 CD GLN A 51 -15.645 -2.251 6.361 1.00 0.00 C ATOM 34 OE1 GLN A 51 -16.015 -3.060 5.508 1.00 0.00 O ATOM 35 NE2 GLN A 51 -14.459 -2.328 6.942 1.00 0.00 N ATOM 0 H GLN A 51 -20.573 0.147 5.682 1.00 0.00 H new ATOM 0 HA GLN A 51 -18.860 0.081 7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -17.970 -1.514 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.872 -0.196 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.933 -0.274 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -17.142 -1.430 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.189 -1.639 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.814 -3.076 6.688 1.00 0.00 H new ATOM 44 N GLN A 52 -16.756 1.954 6.698 1.00 0.00 N ATOM 45 CA GLN A 52 -16.192 3.280 6.912 1.00 0.00 C ATOM 46 C GLN A 52 -15.475 3.796 5.667 1.00 0.00 C ATOM 47 O GLN A 52 -14.250 3.701 5.551 1.00 0.00 O ATOM 48 CB GLN A 52 -15.242 3.271 8.111 1.00 0.00 C ATOM 49 CG GLN A 52 -15.961 3.163 9.444 1.00 0.00 C ATOM 50 CD GLN A 52 -15.008 3.182 10.622 1.00 0.00 C ATOM 51 OE1 GLN A 52 -14.565 2.132 11.094 1.00 0.00 O ATOM 52 NE2 GLN A 52 -14.671 4.374 11.093 1.00 0.00 N ATOM 0 H GLN A 52 -16.136 1.183 6.948 1.00 0.00 H new ATOM 0 HA GLN A 52 -17.018 3.959 7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.549 2.436 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.645 4.183 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.668 3.987 9.540 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.542 2.241 9.466 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.061 5.217 10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.021 4.448 11.876 1.00 0.00 H new ATOM 61 N THR A 53 -16.248 4.326 4.734 1.00 0.00 N ATOM 62 CA THR A 53 -15.695 4.970 3.555 1.00 0.00 C ATOM 63 C THR A 53 -15.523 6.467 3.810 1.00 0.00 C ATOM 64 O THR A 53 -16.435 7.258 3.564 1.00 0.00 O ATOM 65 CB THR A 53 -16.601 4.749 2.326 1.00 0.00 C ATOM 66 OG1 THR A 53 -17.939 5.188 2.614 1.00 0.00 O ATOM 67 CG2 THR A 53 -16.618 3.283 1.920 1.00 0.00 C ATOM 0 H THR A 53 -17.267 4.322 4.771 1.00 0.00 H new ATOM 0 HA THR A 53 -14.723 4.523 3.348 1.00 0.00 H new ATOM 0 HB THR A 53 -16.199 5.333 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 53 -18.530 4.943 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.264 3.153 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.606 2.963 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.996 2.681 2.746 1.00 0.00 H new ATOM 75 N SER A 54 -14.357 6.851 4.313 1.00 0.00 N ATOM 76 CA SER A 54 -14.114 8.233 4.697 1.00 0.00 C ATOM 77 C SER A 54 -13.252 8.936 3.648 1.00 0.00 C ATOM 78 O SER A 54 -12.536 9.897 3.946 1.00 0.00 O ATOM 79 CB SER A 54 -13.443 8.276 6.074 1.00 0.00 C ATOM 80 OG SER A 54 -13.465 9.579 6.632 1.00 0.00 O ATOM 0 H SER A 54 -13.566 6.225 4.464 1.00 0.00 H new ATOM 0 HA SER A 54 -15.066 8.760 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.950 7.584 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.411 7.936 5.986 1.00 0.00 H new ATOM 0 HG SER A 54 -13.161 10.227 5.962 1.00 0.00 H new ATOM 86 N GLY A 55 -13.331 8.458 2.415 1.00 0.00 N ATOM 87 CA GLY A 55 -12.559 9.042 1.341 1.00 0.00 C ATOM 88 C GLY A 55 -11.308 8.241 1.053 1.00 0.00 C ATOM 89 O GLY A 55 -10.952 7.339 1.813 1.00 0.00 O ATOM 0 H GLY A 55 -13.920 7.672 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.171 9.097 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.285 10.064 1.603 1.00 0.00 H new ATOM 93 N LYS A 56 -10.647 8.562 -0.044 1.00 0.00 N ATOM 94 CA LYS A 56 -9.425 7.878 -0.428 1.00 0.00 C ATOM 95 C LYS A 56 -8.219 8.415 0.334 1.00 0.00 C ATOM 96 O LYS A 56 -8.324 9.391 1.080 1.00 0.00 O ATOM 97 CB LYS A 56 -9.226 7.983 -1.916 1.00 0.00 C ATOM 98 CG LYS A 56 -9.774 6.759 -2.610 1.00 0.00 C ATOM 99 CD LYS A 56 -11.253 6.555 -2.340 1.00 0.00 C ATOM 100 CE LYS A 56 -12.087 7.383 -3.293 1.00 0.00 C ATOM 101 NZ LYS A 56 -12.127 6.780 -4.650 1.00 0.00 N ATOM 0 H LYS A 56 -10.938 9.297 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.522 6.825 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.724 8.876 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.165 8.091 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.613 6.851 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.222 5.879 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.506 5.500 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.482 6.833 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.101 7.474 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.677 8.391 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.905 7.204 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.225 6.959 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.279 5.754 -4.570 1.00 0.00 H new ATOM 115 N VAL A 57 -7.079 7.768 0.155 1.00 0.00 N ATOM 116 CA VAL A 57 -5.877 8.124 0.896 1.00 0.00 C ATOM 117 C VAL A 57 -5.010 9.072 0.087 1.00 0.00 C ATOM 118 O VAL A 57 -4.570 8.735 -1.012 1.00 0.00 O ATOM 119 CB VAL A 57 -5.042 6.882 1.259 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.997 7.222 2.312 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.938 5.746 1.717 1.00 0.00 C ATOM 0 H VAL A 57 -6.959 6.993 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.205 8.610 1.815 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.515 6.550 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.419 6.330 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.330 7.993 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.492 7.587 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.327 4.879 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.502 6.059 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.630 5.483 0.917 1.00 0.00 H new ATOM 131 N LEU A 58 -4.765 10.250 0.638 1.00 0.00 N ATOM 132 CA LEU A 58 -3.958 11.253 -0.033 1.00 0.00 C ATOM 133 C LEU A 58 -2.500 11.135 0.394 1.00 0.00 C ATOM 134 O LEU A 58 -2.159 11.389 1.550 1.00 0.00 O ATOM 135 CB LEU A 58 -4.483 12.654 0.290 1.00 0.00 C ATOM 136 CG LEU A 58 -3.752 13.800 -0.407 1.00 0.00 C ATOM 137 CD1 LEU A 58 -4.252 13.951 -1.828 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.929 15.098 0.361 1.00 0.00 C ATOM 0 H LEU A 58 -5.116 10.535 1.552 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.023 11.087 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.538 12.700 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.422 12.808 1.367 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.688 13.565 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.724 14.771 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.072 13.027 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.321 14.164 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.400 15.900 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.989 15.343 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.525 14.984 1.367 1.00 0.00 H new ATOM 150 N TYR A 59 -1.646 10.744 -0.538 1.00 0.00 N ATOM 151 CA TYR A 59 -0.222 10.653 -0.273 1.00 0.00 C ATOM 152 C TYR A 59 0.510 11.723 -1.086 1.00 0.00 C ATOM 153 O TYR A 59 0.431 11.745 -2.316 1.00 0.00 O ATOM 154 CB TYR A 59 0.311 9.238 -0.602 1.00 0.00 C ATOM 155 CG TYR A 59 0.607 9.008 -2.071 1.00 0.00 C ATOM 156 CD1 TYR A 59 -0.416 8.846 -2.996 1.00 0.00 C ATOM 157 CD2 TYR A 59 1.920 8.992 -2.533 1.00 0.00 C ATOM 158 CE1 TYR A 59 -0.140 8.677 -4.339 1.00 0.00 C ATOM 159 CE2 TYR A 59 2.201 8.817 -3.874 1.00 0.00 C ATOM 160 CZ TYR A 59 1.169 8.662 -4.773 1.00 0.00 C ATOM 161 OH TYR A 59 1.443 8.509 -6.114 1.00 0.00 O ATOM 0 H TYR A 59 -1.916 10.484 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.041 10.828 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.221 9.063 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.421 8.501 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.443 8.852 -2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.732 9.118 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.947 8.557 -5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.225 8.802 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 59 2.413 8.521 -6.253 1.00 0.00 H new ATOM 171 N GLU A 60 1.157 12.648 -0.384 1.00 0.00 N ATOM 172 CA GLU A 60 1.989 13.696 -0.995 1.00 0.00 C ATOM 173 C GLU A 60 1.215 14.622 -1.951 1.00 0.00 C ATOM 174 O GLU A 60 1.758 15.622 -2.419 1.00 0.00 O ATOM 175 CB GLU A 60 3.183 13.069 -1.715 1.00 0.00 C ATOM 176 CG GLU A 60 4.074 12.252 -0.794 1.00 0.00 C ATOM 177 CD GLU A 60 4.732 13.086 0.290 1.00 0.00 C ATOM 178 OE1 GLU A 60 4.137 13.234 1.376 1.00 0.00 O ATOM 179 OE2 GLU A 60 5.850 13.594 0.064 1.00 0.00 O ATOM 0 H GLU A 60 1.123 12.697 0.634 1.00 0.00 H new ATOM 0 HA GLU A 60 2.337 14.326 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.819 12.430 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.776 13.858 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.481 11.465 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.847 11.762 -1.386 1.00 0.00 H new ATOM 186 N GLY A 61 -0.042 14.301 -2.238 1.00 0.00 N ATOM 187 CA GLY A 61 -0.830 15.127 -3.131 1.00 0.00 C ATOM 188 C GLY A 61 -1.696 14.324 -4.090 1.00 0.00 C ATOM 189 O GLY A 61 -2.506 14.897 -4.814 1.00 0.00 O ATOM 0 H GLY A 61 -0.528 13.484 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.468 15.783 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.161 15.767 -3.706 1.00 0.00 H new ATOM 193 N LYS A 62 -1.527 13.005 -4.112 1.00 0.00 N ATOM 194 CA LYS A 62 -2.368 12.154 -4.954 1.00 0.00 C ATOM 195 C LYS A 62 -3.224 11.247 -4.083 1.00 0.00 C ATOM 196 O LYS A 62 -2.822 10.878 -2.985 1.00 0.00 O ATOM 197 CB LYS A 62 -1.523 11.291 -5.892 1.00 0.00 C ATOM 198 CG LYS A 62 -2.319 10.684 -7.039 1.00 0.00 C ATOM 199 CD LYS A 62 -1.462 9.779 -7.913 1.00 0.00 C ATOM 200 CE LYS A 62 -0.370 10.553 -8.637 1.00 0.00 C ATOM 201 NZ LYS A 62 -0.927 11.651 -9.472 1.00 0.00 N ATOM 0 H LYS A 62 -0.826 12.506 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.003 12.805 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.715 11.897 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.060 10.489 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.156 10.113 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.742 11.482 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.008 9.003 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.095 9.276 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.325 10.969 -7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.201 9.871 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.199 11.986 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.747 11.299 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.224 12.437 -8.859 1.00 0.00 H new ATOM 215 N GLU A 63 -4.393 10.887 -4.575 1.00 0.00 N ATOM 216 CA GLU A 63 -5.292 10.012 -3.836 1.00 0.00 C ATOM 217 C GLU A 63 -5.285 8.603 -4.408 1.00 0.00 C ATOM 218 O GLU A 63 -5.429 8.402 -5.615 1.00 0.00 O ATOM 219 CB GLU A 63 -6.721 10.555 -3.842 1.00 0.00 C ATOM 220 CG GLU A 63 -6.933 11.741 -2.923 1.00 0.00 C ATOM 221 CD GLU A 63 -8.375 12.192 -2.897 1.00 0.00 C ATOM 222 OE1 GLU A 63 -9.170 11.619 -2.127 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.726 13.118 -3.661 1.00 0.00 O ATOM 0 H GLU A 63 -4.746 11.185 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.930 9.978 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.984 10.845 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.404 9.756 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.618 11.477 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.301 12.568 -3.248 1.00 0.00 H new ATOM 230 N PHE A 64 -5.118 7.636 -3.527 1.00 0.00 N ATOM 231 CA PHE A 64 -5.185 6.233 -3.893 1.00 0.00 C ATOM 232 C PHE A 64 -6.214 5.528 -3.026 1.00 0.00 C ATOM 233 O PHE A 64 -6.681 6.103 -2.045 1.00 0.00 O ATOM 234 CB PHE A 64 -3.821 5.570 -3.728 1.00 0.00 C ATOM 235 CG PHE A 64 -3.161 5.237 -5.036 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.562 4.132 -5.767 1.00 0.00 C ATOM 237 CD2 PHE A 64 -2.140 6.031 -5.537 1.00 0.00 C ATOM 238 CE1 PHE A 64 -2.963 3.826 -6.974 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.535 5.730 -6.742 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.948 4.626 -7.461 1.00 0.00 C ATOM 0 H PHE A 64 -4.932 7.800 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.480 6.157 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.169 6.232 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.937 4.657 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.353 3.501 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.814 6.896 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.288 2.963 -7.536 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.741 6.357 -7.121 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.478 4.388 -8.404 1.00 0.00 H new ATOM 250 N ASP A 65 -6.557 4.289 -3.370 1.00 0.00 N ATOM 251 CA ASP A 65 -7.570 3.548 -2.619 1.00 0.00 C ATOM 252 C ASP A 65 -7.146 3.402 -1.170 1.00 0.00 C ATOM 253 O ASP A 65 -7.799 3.914 -0.261 1.00 0.00 O ATOM 254 CB ASP A 65 -7.811 2.158 -3.219 1.00 0.00 C ATOM 255 CG ASP A 65 -8.813 2.165 -4.352 1.00 0.00 C ATOM 256 OD1 ASP A 65 -10.007 2.419 -4.092 1.00 0.00 O ATOM 257 OD2 ASP A 65 -8.420 1.895 -5.508 1.00 0.00 O ATOM 0 H ASP A 65 -6.153 3.780 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.500 4.114 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.865 1.757 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.163 1.487 -2.435 1.00 0.00 H new ATOM 262 N TYR A 66 -6.041 2.707 -0.971 1.00 0.00 N ATOM 263 CA TYR A 66 -5.475 2.512 0.352 1.00 0.00 C ATOM 264 C TYR A 66 -3.964 2.580 0.271 1.00 0.00 C ATOM 265 O TYR A 66 -3.350 1.757 -0.394 1.00 0.00 O ATOM 266 CB TYR A 66 -5.879 1.147 0.917 1.00 0.00 C ATOM 267 CG TYR A 66 -7.368 0.958 1.096 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.023 1.437 2.223 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.115 0.289 0.136 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.383 1.256 2.386 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.473 0.106 0.291 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.102 0.590 1.416 1.00 0.00 C ATOM 273 OH TYR A 66 -11.457 0.403 1.569 1.00 0.00 O ATOM 0 H TYR A 66 -5.511 2.262 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.854 3.296 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.504 0.368 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.389 1.008 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.461 1.959 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.625 -0.094 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.880 1.634 3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.040 -0.414 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.810 -0.083 0.795 1.00 0.00 H new ATOM 283 N VAL A 67 -3.352 3.556 0.919 1.00 0.00 N ATOM 284 CA VAL A 67 -1.907 3.576 0.981 1.00 0.00 C ATOM 285 C VAL A 67 -1.453 3.206 2.383 1.00 0.00 C ATOM 286 O VAL A 67 -2.090 3.563 3.378 1.00 0.00 O ATOM 287 CB VAL A 67 -1.270 4.923 0.545 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.139 5.638 -0.478 1.00 0.00 C ATOM 289 CG2 VAL A 67 -0.954 5.825 1.730 1.00 0.00 C ATOM 0 H VAL A 67 -3.821 4.325 1.397 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.557 2.839 0.258 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.319 4.683 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.666 6.578 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.256 5.008 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.118 5.841 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.510 6.754 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.872 6.047 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.253 5.320 2.394 1.00 0.00 H new ATOM 299 N PHE A 68 -0.372 2.465 2.447 1.00 0.00 N ATOM 300 CA PHE A 68 0.185 2.021 3.705 1.00 0.00 C ATOM 301 C PHE A 68 1.306 2.964 4.113 1.00 0.00 C ATOM 302 O PHE A 68 1.875 3.655 3.274 1.00 0.00 O ATOM 303 CB PHE A 68 0.700 0.586 3.548 1.00 0.00 C ATOM 304 CG PHE A 68 1.280 -0.018 4.795 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.637 0.112 6.015 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.473 -0.713 4.740 1.00 0.00 C ATOM 307 CE1 PHE A 68 1.176 -0.444 7.159 1.00 0.00 C ATOM 308 CE2 PHE A 68 3.017 -1.274 5.879 1.00 0.00 C ATOM 309 CZ PHE A 68 2.369 -1.138 7.091 1.00 0.00 C ATOM 0 H PHE A 68 0.148 2.152 1.627 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.577 2.031 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.121 -0.044 3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.461 0.572 2.767 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.296 0.654 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.986 -0.819 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.666 -0.336 8.105 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.948 -1.818 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.794 -1.573 7.984 1.00 0.00 H new ATOM 319 N SER A 69 1.602 3.022 5.392 1.00 0.00 N ATOM 320 CA SER A 69 2.703 3.832 5.862 1.00 0.00 C ATOM 321 C SER A 69 3.944 2.965 6.006 1.00 0.00 C ATOM 322 O SER A 69 3.962 1.996 6.760 1.00 0.00 O ATOM 323 CB SER A 69 2.340 4.519 7.181 1.00 0.00 C ATOM 324 OG SER A 69 3.426 5.276 7.690 1.00 0.00 O ATOM 0 H SER A 69 1.098 2.520 6.123 1.00 0.00 H new ATOM 0 HA SER A 69 2.913 4.617 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.481 5.172 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.044 3.768 7.914 1.00 0.00 H new ATOM 0 HG SER A 69 3.161 5.703 8.531 1.00 0.00 H new ATOM 330 N ILE A 70 4.968 3.322 5.256 1.00 0.00 N ATOM 331 CA ILE A 70 6.192 2.553 5.187 1.00 0.00 C ATOM 332 C ILE A 70 7.294 3.214 5.991 1.00 0.00 C ATOM 333 O ILE A 70 7.728 4.329 5.689 1.00 0.00 O ATOM 334 CB ILE A 70 6.648 2.404 3.736 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.590 1.656 2.951 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.992 1.691 3.645 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.309 0.257 3.448 1.00 0.00 C ATOM 0 H ILE A 70 4.973 4.160 4.674 1.00 0.00 H new ATOM 0 HA ILE A 70 5.989 1.568 5.607 1.00 0.00 H new ATOM 0 HB ILE A 70 6.780 3.398 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.664 2.230 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.901 1.601 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.287 1.602 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.745 2.264 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.907 0.697 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.540 -0.202 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.221 -0.338 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.964 0.300 4.481 1.00 0.00 H new ATOM 349 N ASP A 71 7.720 2.538 7.026 1.00 0.00 N ATOM 350 CA ASP A 71 8.838 3.001 7.832 1.00 0.00 C ATOM 351 C ASP A 71 10.086 2.186 7.523 1.00 0.00 C ATOM 352 O ASP A 71 10.106 0.969 7.696 1.00 0.00 O ATOM 353 CB ASP A 71 8.499 2.964 9.330 1.00 0.00 C ATOM 354 CG ASP A 71 7.812 1.682 9.764 1.00 0.00 C ATOM 355 OD1 ASP A 71 6.568 1.601 9.645 1.00 0.00 O ATOM 356 OD2 ASP A 71 8.503 0.761 10.240 1.00 0.00 O ATOM 0 H ASP A 71 7.311 1.657 7.339 1.00 0.00 H new ATOM 0 HA ASP A 71 9.039 4.041 7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.417 3.088 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.856 3.811 9.570 1.00 0.00 H new ATOM 361 N VAL A 72 11.122 2.854 7.040 1.00 0.00 N ATOM 362 CA VAL A 72 12.364 2.177 6.688 1.00 0.00 C ATOM 363 C VAL A 72 13.450 2.452 7.723 1.00 0.00 C ATOM 364 O VAL A 72 14.201 1.557 8.115 1.00 0.00 O ATOM 365 CB VAL A 72 12.864 2.609 5.293 1.00 0.00 C ATOM 366 CG1 VAL A 72 14.116 1.840 4.906 1.00 0.00 C ATOM 367 CG2 VAL A 72 11.775 2.413 4.249 1.00 0.00 C ATOM 0 H VAL A 72 11.129 3.862 6.882 1.00 0.00 H new ATOM 0 HA VAL A 72 12.151 1.108 6.669 1.00 0.00 H new ATOM 0 HB VAL A 72 13.114 3.669 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.450 2.161 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.902 2.034 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.895 0.773 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.147 2.723 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.492 1.361 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.905 3.014 4.513 1.00 0.00 H new ATOM 377 N ASN A 73 13.511 3.691 8.179 1.00 0.00 N ATOM 378 CA ASN A 73 14.531 4.103 9.131 1.00 0.00 C ATOM 379 C ASN A 73 13.873 4.589 10.414 1.00 0.00 C ATOM 380 O ASN A 73 12.677 4.888 10.430 1.00 0.00 O ATOM 381 CB ASN A 73 15.403 5.215 8.529 1.00 0.00 C ATOM 382 CG ASN A 73 16.578 5.590 9.417 1.00 0.00 C ATOM 383 OD1 ASN A 73 17.145 4.743 10.108 1.00 0.00 O ATOM 384 ND2 ASN A 73 16.936 6.864 9.424 1.00 0.00 N ATOM 0 H ASN A 73 12.865 4.432 7.905 1.00 0.00 H new ATOM 0 HA ASN A 73 15.167 3.248 9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 73 15.777 4.891 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.788 6.098 8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.706 7.174 10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.441 7.536 8.837 1.00 0.00 H new ATOM 391 N GLU A 74 14.653 4.648 11.484 1.00 0.00 N ATOM 392 CA GLU A 74 14.166 5.105 12.776 1.00 0.00 C ATOM 393 C GLU A 74 13.743 6.567 12.711 1.00 0.00 C ATOM 394 O GLU A 74 14.523 7.432 12.309 1.00 0.00 O ATOM 395 CB GLU A 74 15.246 4.926 13.840 1.00 0.00 C ATOM 396 CG GLU A 74 15.642 3.478 14.048 1.00 0.00 C ATOM 397 CD GLU A 74 14.491 2.630 14.537 1.00 0.00 C ATOM 398 OE1 GLU A 74 14.095 2.780 15.707 1.00 0.00 O ATOM 399 OE2 GLU A 74 13.970 1.809 13.752 1.00 0.00 O ATOM 0 H GLU A 74 15.638 4.381 11.481 1.00 0.00 H new ATOM 0 HA GLU A 74 13.296 4.504 13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.128 5.500 13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.889 5.338 14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.018 3.069 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.459 3.427 14.768 1.00 0.00 H new ATOM 406 N GLY A 75 12.506 6.832 13.097 1.00 0.00 N ATOM 407 CA GLY A 75 11.993 8.188 13.096 1.00 0.00 C ATOM 408 C GLY A 75 11.504 8.620 11.725 1.00 0.00 C ATOM 409 O GLY A 75 10.331 8.959 11.553 1.00 0.00 O ATOM 0 H GLY A 75 11.841 6.126 13.414 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.174 8.265 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.775 8.870 13.432 1.00 0.00 H new ATOM 413 N GLY A 76 12.402 8.598 10.750 1.00 0.00 N ATOM 414 CA GLY A 76 12.058 9.004 9.404 1.00 0.00 C ATOM 415 C GLY A 76 13.145 8.641 8.410 1.00 0.00 C ATOM 416 O GLY A 76 14.168 8.081 8.798 1.00 0.00 O ATOM 0 H GLY A 76 13.371 8.303 10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.123 8.529 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.890 10.081 9.381 1.00 0.00 H new ATOM 420 N PRO A 77 12.960 8.947 7.116 1.00 0.00 N ATOM 421 CA PRO A 77 11.757 9.612 6.608 1.00 0.00 C ATOM 422 C PRO A 77 10.579 8.651 6.460 1.00 0.00 C ATOM 423 O PRO A 77 10.751 7.430 6.476 1.00 0.00 O ATOM 424 CB PRO A 77 12.204 10.119 5.239 1.00 0.00 C ATOM 425 CG PRO A 77 13.234 9.142 4.793 1.00 0.00 C ATOM 426 CD PRO A 77 13.929 8.664 6.040 1.00 0.00 C ATOM 0 HA PRO A 77 11.401 10.393 7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.369 10.161 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.615 11.126 5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.775 8.309 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.942 9.608 4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.165 7.601 5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.870 9.191 6.200 1.00 0.00 H new ATOM 434 N SER A 78 9.389 9.207 6.318 1.00 0.00 N ATOM 435 CA SER A 78 8.188 8.406 6.186 1.00 0.00 C ATOM 436 C SER A 78 7.854 8.199 4.714 1.00 0.00 C ATOM 437 O SER A 78 7.660 9.159 3.966 1.00 0.00 O ATOM 438 CB SER A 78 7.015 9.081 6.909 1.00 0.00 C ATOM 439 OG SER A 78 5.865 8.248 6.930 1.00 0.00 O ATOM 0 H SER A 78 9.230 10.214 6.291 1.00 0.00 H new ATOM 0 HA SER A 78 8.364 7.433 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.308 9.324 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.775 10.022 6.414 1.00 0.00 H new ATOM 0 HG SER A 78 5.137 8.707 7.399 1.00 0.00 H new ATOM 445 N TYR A 79 7.805 6.944 4.306 1.00 0.00 N ATOM 446 CA TYR A 79 7.430 6.583 2.950 1.00 0.00 C ATOM 447 C TYR A 79 6.024 6.019 2.968 1.00 0.00 C ATOM 448 O TYR A 79 5.553 5.609 4.015 1.00 0.00 O ATOM 449 CB TYR A 79 8.413 5.554 2.389 1.00 0.00 C ATOM 450 CG TYR A 79 9.797 6.112 2.152 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.020 7.067 1.167 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.880 5.692 2.914 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.283 7.582 0.945 1.00 0.00 C ATOM 454 CE2 TYR A 79 12.146 6.202 2.697 1.00 0.00 C ATOM 455 CZ TYR A 79 12.342 7.148 1.712 1.00 0.00 C ATOM 456 OH TYR A 79 13.603 7.659 1.490 1.00 0.00 O ATOM 0 H TYR A 79 8.024 6.147 4.904 1.00 0.00 H new ATOM 0 HA TYR A 79 7.460 7.464 2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.482 4.714 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.021 5.163 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.192 7.412 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.730 4.955 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.439 8.322 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.978 5.862 3.296 1.00 0.00 H new ATOM 0 HH TYR A 79 14.237 7.250 2.116 1.00 0.00 H new ATOM 466 N LYS A 80 5.342 6.013 1.835 1.00 0.00 N ATOM 467 CA LYS A 80 3.973 5.505 1.786 1.00 0.00 C ATOM 468 C LYS A 80 3.801 4.561 0.604 1.00 0.00 C ATOM 469 O LYS A 80 4.427 4.743 -0.437 1.00 0.00 O ATOM 470 CB LYS A 80 2.950 6.653 1.709 1.00 0.00 C ATOM 471 CG LYS A 80 3.100 7.692 2.817 1.00 0.00 C ATOM 472 CD LYS A 80 3.045 7.070 4.213 1.00 0.00 C ATOM 473 CE LYS A 80 1.632 6.965 4.760 1.00 0.00 C ATOM 474 NZ LYS A 80 0.994 8.299 4.895 1.00 0.00 N ATOM 0 H LYS A 80 5.705 6.349 0.943 1.00 0.00 H new ATOM 0 HA LYS A 80 3.787 4.954 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.048 7.149 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.945 6.234 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.048 8.216 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.309 8.436 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.491 6.076 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.649 7.668 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.032 6.340 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.654 6.472 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.232 8.249 5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.704 8.994 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.598 8.589 3.978 1.00 0.00 H new ATOM 488 N LEU A 81 2.947 3.566 0.778 1.00 0.00 N ATOM 489 CA LEU A 81 2.731 2.532 -0.227 1.00 0.00 C ATOM 490 C LEU A 81 1.305 2.630 -0.763 1.00 0.00 C ATOM 491 O LEU A 81 0.386 2.043 -0.195 1.00 0.00 O ATOM 492 CB LEU A 81 2.948 1.147 0.400 1.00 0.00 C ATOM 493 CG LEU A 81 3.334 0.005 -0.546 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.590 -1.252 -0.165 1.00 0.00 C ATOM 495 CD2 LEU A 81 3.054 0.346 -1.999 1.00 0.00 C ATOM 0 H LEU A 81 2.382 3.450 1.620 1.00 0.00 H new ATOM 0 HA LEU A 81 3.437 2.673 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.727 1.237 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.032 0.863 0.917 1.00 0.00 H new ATOM 0 HG LEU A 81 4.408 -0.153 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.869 -2.059 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.846 -1.530 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.517 -1.075 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.343 -0.493 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.990 0.547 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.627 1.229 -2.282 1.00 0.00 H new ATOM 507 N PRO A 82 1.096 3.390 -1.842 1.00 0.00 N ATOM 508 CA PRO A 82 -0.217 3.516 -2.485 1.00 0.00 C ATOM 509 C PRO A 82 -0.686 2.210 -3.107 1.00 0.00 C ATOM 510 O PRO A 82 0.085 1.524 -3.773 1.00 0.00 O ATOM 511 CB PRO A 82 0.023 4.550 -3.583 1.00 0.00 C ATOM 512 CG PRO A 82 1.251 5.268 -3.158 1.00 0.00 C ATOM 513 CD PRO A 82 2.103 4.216 -2.517 1.00 0.00 C ATOM 0 HA PRO A 82 -0.990 3.794 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.158 4.073 -4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.822 5.232 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.758 5.724 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.018 6.070 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.674 3.648 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.821 4.642 -1.816 1.00 0.00 H new ATOM 521 N TYR A 83 -1.951 1.887 -2.901 1.00 0.00 N ATOM 522 CA TYR A 83 -2.531 0.673 -3.433 1.00 0.00 C ATOM 523 C TYR A 83 -3.927 0.949 -3.965 1.00 0.00 C ATOM 524 O TYR A 83 -4.753 1.552 -3.277 1.00 0.00 O ATOM 525 CB TYR A 83 -2.590 -0.412 -2.348 1.00 0.00 C ATOM 526 CG TYR A 83 -3.427 -1.615 -2.727 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.157 -2.335 -3.880 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.490 -2.025 -1.931 1.00 0.00 C ATOM 529 CE1 TYR A 83 -3.920 -3.432 -4.234 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.257 -3.121 -2.277 1.00 0.00 C ATOM 531 CZ TYR A 83 -4.970 -3.818 -3.431 1.00 0.00 C ATOM 532 OH TYR A 83 -5.730 -4.910 -3.780 1.00 0.00 O ATOM 0 H TYR A 83 -2.601 2.459 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.903 0.318 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.576 -0.743 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.992 0.024 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.336 -2.034 -4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.720 -1.479 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.694 -3.983 -5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.077 -3.430 -1.646 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.458 -5.228 -4.666 1.00 0.00 H new ATOM 542 N ASN A 84 -4.173 0.542 -5.197 1.00 0.00 N ATOM 543 CA ASN A 84 -5.508 0.574 -5.751 1.00 0.00 C ATOM 544 C ASN A 84 -6.019 -0.857 -5.843 1.00 0.00 C ATOM 545 O ASN A 84 -5.306 -1.746 -6.303 1.00 0.00 O ATOM 546 CB ASN A 84 -5.519 1.283 -7.113 1.00 0.00 C ATOM 547 CG ASN A 84 -4.910 0.468 -8.236 1.00 0.00 C ATOM 548 OD1 ASN A 84 -3.694 0.445 -8.412 1.00 0.00 O ATOM 549 ND2 ASN A 84 -5.759 -0.161 -9.034 1.00 0.00 N ATOM 0 H ASN A 84 -3.460 0.184 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.173 1.147 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.548 1.531 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.977 2.225 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.411 -0.692 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.761 -0.115 -8.850 1.00 0.00 H new ATOM 556 N THR A 85 -7.249 -1.073 -5.402 1.00 0.00 N ATOM 557 CA THR A 85 -7.763 -2.419 -5.148 1.00 0.00 C ATOM 558 C THR A 85 -7.869 -3.272 -6.412 1.00 0.00 C ATOM 559 O THR A 85 -8.084 -4.481 -6.342 1.00 0.00 O ATOM 560 CB THR A 85 -9.139 -2.352 -4.465 1.00 0.00 C ATOM 561 OG1 THR A 85 -10.078 -1.664 -5.309 1.00 0.00 O ATOM 562 CG2 THR A 85 -9.023 -1.628 -3.139 1.00 0.00 C ATOM 0 H THR A 85 -7.919 -0.328 -5.210 1.00 0.00 H new ATOM 0 HA THR A 85 -7.038 -2.899 -4.490 1.00 0.00 H new ATOM 0 HB THR A 85 -9.493 -3.368 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.951 -1.628 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.002 -1.585 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.327 -2.162 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.657 -0.615 -3.308 1.00 0.00 H new ATOM 570 N SER A 86 -7.727 -2.638 -7.559 1.00 0.00 N ATOM 571 CA SER A 86 -7.817 -3.334 -8.833 1.00 0.00 C ATOM 572 C SER A 86 -6.491 -4.015 -9.183 1.00 0.00 C ATOM 573 O SER A 86 -6.409 -4.766 -10.156 1.00 0.00 O ATOM 574 CB SER A 86 -8.219 -2.347 -9.933 1.00 0.00 C ATOM 575 OG SER A 86 -8.583 -3.013 -11.127 1.00 0.00 O ATOM 0 H SER A 86 -7.548 -1.637 -7.638 1.00 0.00 H new ATOM 0 HA SER A 86 -8.578 -4.110 -8.752 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.054 -1.737 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.390 -1.668 -10.133 1.00 0.00 H new ATOM 0 HG SER A 86 -8.137 -3.885 -11.165 1.00 0.00 H new ATOM 581 N ASP A 87 -5.461 -3.767 -8.381 1.00 0.00 N ATOM 582 CA ASP A 87 -4.134 -4.310 -8.658 1.00 0.00 C ATOM 583 C ASP A 87 -3.792 -5.416 -7.660 1.00 0.00 C ATOM 584 O ASP A 87 -4.561 -5.683 -6.731 1.00 0.00 O ATOM 585 CB ASP A 87 -3.091 -3.191 -8.598 1.00 0.00 C ATOM 586 CG ASP A 87 -1.813 -3.542 -9.337 1.00 0.00 C ATOM 587 OD1 ASP A 87 -1.784 -3.399 -10.580 1.00 0.00 O ATOM 588 OD2 ASP A 87 -0.834 -3.949 -8.688 1.00 0.00 O ATOM 0 H ASP A 87 -5.518 -3.196 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.130 -4.741 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.515 -2.282 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.856 -2.975 -7.556 1.00 0.00 H new ATOM 593 N ASP A 88 -2.638 -6.051 -7.847 1.00 0.00 N ATOM 594 CA ASP A 88 -2.244 -7.190 -7.022 1.00 0.00 C ATOM 595 C ASP A 88 -1.196 -6.789 -6.002 1.00 0.00 C ATOM 596 O ASP A 88 -0.420 -5.869 -6.242 1.00 0.00 O ATOM 597 CB ASP A 88 -1.693 -8.337 -7.873 1.00 0.00 C ATOM 598 CG ASP A 88 -2.760 -9.020 -8.700 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.790 -9.435 -8.126 1.00 0.00 O ATOM 600 OD2 ASP A 88 -2.561 -9.180 -9.923 1.00 0.00 O ATOM 0 H ASP A 88 -1.958 -5.796 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.143 -7.529 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.918 -7.952 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.219 -9.071 -7.222 1.00 0.00 H new ATOM 605 N PRO A 89 -1.147 -7.492 -4.860 1.00 0.00 N ATOM 606 CA PRO A 89 -0.219 -7.192 -3.769 1.00 0.00 C ATOM 607 C PRO A 89 1.211 -7.037 -4.240 1.00 0.00 C ATOM 608 O PRO A 89 1.787 -5.954 -4.153 1.00 0.00 O ATOM 609 CB PRO A 89 -0.321 -8.410 -2.843 1.00 0.00 C ATOM 610 CG PRO A 89 -1.119 -9.422 -3.599 1.00 0.00 C ATOM 611 CD PRO A 89 -1.992 -8.644 -4.533 1.00 0.00 C ATOM 0 HA PRO A 89 -0.476 -6.247 -3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.667 -8.797 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.808 -8.149 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.467 -10.101 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.717 -10.032 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.255 -9.221 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.927 -8.342 -4.060 1.00 0.00 H new ATOM 619 N TRP A 90 1.774 -8.120 -4.752 1.00 0.00 N ATOM 620 CA TRP A 90 3.172 -8.128 -5.120 1.00 0.00 C ATOM 621 C TRP A 90 3.444 -7.155 -6.256 1.00 0.00 C ATOM 622 O TRP A 90 4.531 -6.621 -6.351 1.00 0.00 O ATOM 623 CB TRP A 90 3.642 -9.542 -5.482 1.00 0.00 C ATOM 624 CG TRP A 90 3.043 -10.090 -6.739 1.00 0.00 C ATOM 625 CD1 TRP A 90 1.740 -10.436 -6.951 1.00 0.00 C ATOM 626 CD2 TRP A 90 3.739 -10.376 -7.959 1.00 0.00 C ATOM 627 NE1 TRP A 90 1.580 -10.897 -8.234 1.00 0.00 N ATOM 628 CE2 TRP A 90 2.793 -10.876 -8.871 1.00 0.00 C ATOM 629 CE3 TRP A 90 5.070 -10.250 -8.370 1.00 0.00 C ATOM 630 CZ2 TRP A 90 3.135 -11.255 -10.166 1.00 0.00 C ATOM 631 CZ3 TRP A 90 5.407 -10.626 -9.657 1.00 0.00 C ATOM 632 CH2 TRP A 90 4.443 -11.123 -10.542 1.00 0.00 C ATOM 0 H TRP A 90 1.283 -8.998 -4.920 1.00 0.00 H new ATOM 0 HA TRP A 90 3.745 -7.799 -4.253 1.00 0.00 H new ATOM 0 HB2 TRP A 90 4.727 -9.536 -5.584 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.403 -10.213 -4.657 1.00 0.00 H new ATOM 0 HD1 TRP A 90 0.951 -10.359 -6.218 1.00 0.00 H new ATOM 0 HE1 TRP A 90 0.700 -11.206 -8.647 1.00 0.00 H new ATOM 0 HE3 TRP A 90 5.820 -9.866 -7.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 2.393 -11.640 -10.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 6.432 -10.535 -9.985 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.738 -11.408 -11.541 1.00 0.00 H new ATOM 643 N LEU A 91 2.449 -6.906 -7.099 1.00 0.00 N ATOM 644 CA LEU A 91 2.619 -5.962 -8.200 1.00 0.00 C ATOM 645 C LEU A 91 2.667 -4.526 -7.684 1.00 0.00 C ATOM 646 O LEU A 91 3.561 -3.761 -8.037 1.00 0.00 O ATOM 647 CB LEU A 91 1.478 -6.104 -9.202 1.00 0.00 C ATOM 648 CG LEU A 91 1.390 -7.453 -9.910 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.256 -7.453 -10.919 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.703 -7.765 -10.594 1.00 0.00 C ATOM 0 H LEU A 91 1.526 -7.338 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 91 3.564 -6.190 -8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.537 -5.924 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.580 -5.324 -9.956 1.00 0.00 H new ATOM 0 HG LEU A 91 1.187 -8.224 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.209 -8.423 -11.414 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.687 -7.261 -10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.430 -6.675 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.631 -8.729 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.925 -6.989 -11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.500 -7.801 -9.852 1.00 0.00 H new ATOM 662 N THR A 92 1.719 -4.186 -6.818 1.00 0.00 N ATOM 663 CA THR A 92 1.663 -2.863 -6.206 1.00 0.00 C ATOM 664 C THR A 92 2.895 -2.623 -5.346 1.00 0.00 C ATOM 665 O THR A 92 3.557 -1.583 -5.440 1.00 0.00 O ATOM 666 CB THR A 92 0.393 -2.726 -5.343 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.780 -2.849 -6.165 1.00 0.00 O ATOM 668 CG2 THR A 92 0.370 -1.399 -4.601 1.00 0.00 C ATOM 0 H THR A 92 0.972 -4.815 -6.522 1.00 0.00 H new ATOM 0 HA THR A 92 1.636 -2.118 -7.002 1.00 0.00 H new ATOM 0 HB THR A 92 0.401 -3.527 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.527 -3.197 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.538 -1.333 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.241 -1.332 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.391 -0.580 -5.320 1.00 0.00 H new ATOM 676 N ALA A 93 3.212 -3.613 -4.531 1.00 0.00 N ATOM 677 CA ALA A 93 4.362 -3.556 -3.662 1.00 0.00 C ATOM 678 C ALA A 93 5.650 -3.457 -4.471 1.00 0.00 C ATOM 679 O ALA A 93 6.547 -2.693 -4.129 1.00 0.00 O ATOM 680 CB ALA A 93 4.385 -4.785 -2.784 1.00 0.00 C ATOM 0 H ALA A 93 2.676 -4.477 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 93 4.291 -2.665 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.253 -4.746 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.476 -4.821 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.443 -5.677 -3.408 1.00 0.00 H new ATOM 686 N TYR A 94 5.727 -4.230 -5.549 1.00 0.00 N ATOM 687 CA TYR A 94 6.899 -4.242 -6.410 1.00 0.00 C ATOM 688 C TYR A 94 7.063 -2.878 -7.072 1.00 0.00 C ATOM 689 O TYR A 94 8.175 -2.381 -7.239 1.00 0.00 O ATOM 690 CB TYR A 94 6.739 -5.321 -7.477 1.00 0.00 C ATOM 691 CG TYR A 94 8.031 -5.814 -8.081 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.736 -5.044 -8.988 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.530 -7.067 -7.755 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.907 -5.505 -9.560 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.699 -7.536 -8.316 1.00 0.00 C ATOM 696 CZ TYR A 94 10.385 -6.753 -9.218 1.00 0.00 C ATOM 697 OH TYR A 94 11.545 -7.223 -9.787 1.00 0.00 O ATOM 0 H TYR A 94 4.983 -4.861 -5.847 1.00 0.00 H new ATOM 0 HA TYR A 94 7.785 -4.458 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.213 -6.169 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.107 -4.931 -8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.365 -4.065 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.994 -7.685 -7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.444 -4.893 -10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.075 -8.513 -8.049 1.00 0.00 H new ATOM 0 HH TYR A 94 11.742 -8.117 -9.437 1.00 0.00 H new ATOM 707 N ASN A 95 5.935 -2.287 -7.456 1.00 0.00 N ATOM 708 CA ASN A 95 5.928 -0.964 -8.074 1.00 0.00 C ATOM 709 C ASN A 95 6.521 0.076 -7.138 1.00 0.00 C ATOM 710 O ASN A 95 7.372 0.856 -7.547 1.00 0.00 O ATOM 711 CB ASN A 95 4.510 -0.546 -8.465 1.00 0.00 C ATOM 712 CG ASN A 95 4.004 -1.250 -9.710 1.00 0.00 C ATOM 713 OD1 ASN A 95 4.912 -1.582 -10.619 1.00 0.00 O flip ATOM 714 ND2 ASN A 95 2.804 -1.478 -9.862 1.00 0.00 N flip ATOM 0 H ASN A 95 5.011 -2.705 -7.350 1.00 0.00 H new ATOM 0 HA ASN A 95 6.540 -1.023 -8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.834 -0.756 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.488 0.531 -8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.138 -1.207 -9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.476 -1.938 -10.711 1.00 0.00 H new ATOM 721 N PHE A 96 6.087 0.074 -5.886 1.00 0.00 N ATOM 722 CA PHE A 96 6.631 0.996 -4.894 1.00 0.00 C ATOM 723 C PHE A 96 8.080 0.649 -4.577 1.00 0.00 C ATOM 724 O PHE A 96 8.919 1.537 -4.415 1.00 0.00 O ATOM 725 CB PHE A 96 5.779 0.993 -3.623 1.00 0.00 C ATOM 726 CG PHE A 96 6.396 1.745 -2.471 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.623 3.110 -2.563 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.752 1.088 -1.300 1.00 0.00 C ATOM 729 CE1 PHE A 96 7.191 3.806 -1.513 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.319 1.780 -0.246 1.00 0.00 C ATOM 731 CZ PHE A 96 7.538 3.141 -0.353 1.00 0.00 C ATOM 0 H PHE A 96 5.363 -0.552 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 96 6.606 2.002 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.806 1.429 -3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.603 -0.039 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.352 3.636 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.584 0.025 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.363 4.869 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.591 1.258 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.980 3.684 0.470 1.00 0.00 H new ATOM 741 N LEU A 97 8.370 -0.642 -4.501 1.00 0.00 N ATOM 742 CA LEU A 97 9.715 -1.104 -4.193 1.00 0.00 C ATOM 743 C LEU A 97 10.712 -0.629 -5.243 1.00 0.00 C ATOM 744 O LEU A 97 11.742 -0.063 -4.907 1.00 0.00 O ATOM 745 CB LEU A 97 9.733 -2.628 -4.108 1.00 0.00 C ATOM 746 CG LEU A 97 10.374 -3.189 -2.848 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.542 -2.808 -1.638 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.510 -4.692 -2.947 1.00 0.00 C ATOM 0 H LEU A 97 7.691 -1.389 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 97 10.009 -0.684 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.708 -2.993 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.265 -3.020 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 97 11.372 -2.765 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.004 -3.212 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.486 -1.722 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.537 -3.216 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.971 -5.076 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.524 -5.139 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.134 -4.945 -3.804 1.00 0.00 H new ATOM 760 N GLN A 98 10.382 -0.819 -6.511 1.00 0.00 N ATOM 761 CA GLN A 98 11.242 -0.362 -7.598 1.00 0.00 C ATOM 762 C GLN A 98 11.239 1.165 -7.665 1.00 0.00 C ATOM 763 O GLN A 98 12.248 1.786 -7.986 1.00 0.00 O ATOM 764 CB GLN A 98 10.807 -0.972 -8.934 1.00 0.00 C ATOM 765 CG GLN A 98 9.482 -0.448 -9.449 1.00 0.00 C ATOM 766 CD GLN A 98 8.983 -1.204 -10.663 1.00 0.00 C ATOM 767 OE1 GLN A 98 8.209 -2.248 -10.421 1.00 0.00 O flip ATOM 768 NE2 GLN A 98 9.290 -0.853 -11.801 1.00 0.00 N flip ATOM 0 H GLN A 98 9.527 -1.285 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 98 12.260 -0.697 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.578 -0.776 -9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.739 -2.054 -8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.738 -0.513 -8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 98 9.587 0.607 -9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.890 -0.040 -11.939 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.944 -1.375 -12.606 1.00 0.00 H new ATOM 777 N LYS A 99 10.084 1.748 -7.358 1.00 0.00 N ATOM 778 CA LYS A 99 9.893 3.195 -7.377 1.00 0.00 C ATOM 779 C LYS A 99 10.841 3.903 -6.414 1.00 0.00 C ATOM 780 O LYS A 99 11.460 4.910 -6.761 1.00 0.00 O ATOM 781 CB LYS A 99 8.459 3.505 -6.966 1.00 0.00 C ATOM 782 CG LYS A 99 8.113 4.976 -6.980 1.00 0.00 C ATOM 783 CD LYS A 99 7.317 5.338 -5.742 1.00 0.00 C ATOM 784 CE LYS A 99 6.792 6.761 -5.797 1.00 0.00 C ATOM 785 NZ LYS A 99 7.879 7.761 -5.955 1.00 0.00 N ATOM 0 H LYS A 99 9.250 1.227 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 99 10.101 3.552 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.779 2.977 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.288 3.113 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.025 5.571 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.536 5.213 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.481 4.647 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.945 5.218 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.092 6.855 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.235 6.975 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.484 8.719 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.596 7.614 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.319 7.651 -6.891 1.00 0.00 H new ATOM 799 N ASN A 100 10.953 3.368 -5.204 1.00 0.00 N ATOM 800 CA ASN A 100 11.749 4.004 -4.163 1.00 0.00 C ATOM 801 C ASN A 100 13.127 3.356 -4.067 1.00 0.00 C ATOM 802 O ASN A 100 13.986 3.802 -3.301 1.00 0.00 O ATOM 803 CB ASN A 100 11.041 3.921 -2.809 1.00 0.00 C ATOM 804 CG ASN A 100 11.384 5.090 -1.901 1.00 0.00 C ATOM 805 OD1 ASN A 100 12.458 4.965 -1.137 1.00 0.00 O flip ATOM 806 ND2 ASN A 100 10.689 6.103 -1.896 1.00 0.00 N flip ATOM 0 H ASN A 100 10.504 2.497 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 100 11.871 5.054 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.963 3.892 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.316 2.989 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.869 6.162 -2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.932 6.885 -1.289 1.00 0.00 H new ATOM 813 N ASP A 101 13.308 2.284 -4.844 1.00 0.00 N ATOM 814 CA ASP A 101 14.554 1.503 -4.868 1.00 0.00 C ATOM 815 C ASP A 101 14.723 0.687 -3.590 1.00 0.00 C ATOM 816 O ASP A 101 15.834 0.553 -3.075 1.00 0.00 O ATOM 817 CB ASP A 101 15.797 2.384 -5.068 1.00 0.00 C ATOM 818 CG ASP A 101 15.825 3.112 -6.397 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.216 2.496 -7.411 1.00 0.00 O ATOM 820 OD2 ASP A 101 15.495 4.314 -6.424 1.00 0.00 O ATOM 0 H ASP A 101 12.592 1.930 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 101 14.468 0.831 -5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.845 3.117 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.688 1.762 -4.987 1.00 0.00 H new ATOM 825 N LEU A 102 13.626 0.143 -3.075 1.00 0.00 N ATOM 826 CA LEU A 102 13.689 -0.706 -1.891 1.00 0.00 C ATOM 827 C LEU A 102 14.123 -2.107 -2.279 1.00 0.00 C ATOM 828 O LEU A 102 13.963 -2.530 -3.425 1.00 0.00 O ATOM 829 CB LEU A 102 12.342 -0.807 -1.169 1.00 0.00 C ATOM 830 CG LEU A 102 11.730 0.494 -0.644 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.758 1.607 -0.554 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.562 0.892 -1.516 1.00 0.00 C ATOM 0 H LEU A 102 12.689 0.273 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 102 14.410 -0.245 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.626 -1.265 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.461 -1.488 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 102 11.371 0.321 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.282 2.512 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.559 1.309 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.173 1.800 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.127 1.819 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.906 1.041 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.809 0.104 -1.497 1.00 0.00 H new ATOM 844 N ASN A 103 14.667 -2.816 -1.313 1.00 0.00 N ATOM 845 CA ASN A 103 15.102 -4.185 -1.508 1.00 0.00 C ATOM 846 C ASN A 103 13.903 -5.111 -1.676 1.00 0.00 C ATOM 847 O ASN A 103 12.904 -4.973 -0.972 1.00 0.00 O ATOM 848 CB ASN A 103 15.920 -4.635 -0.306 1.00 0.00 C ATOM 849 CG ASN A 103 16.721 -5.891 -0.586 1.00 0.00 C ATOM 850 OD1 ASN A 103 16.248 -7.005 -0.356 1.00 0.00 O ATOM 851 ND2 ASN A 103 17.935 -5.725 -1.089 1.00 0.00 N ATOM 0 H ASN A 103 14.821 -2.460 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 103 15.711 -4.231 -2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.598 -3.834 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.253 -4.814 0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.515 -6.537 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.290 -4.785 -1.265 1.00 0.00 H new ATOM 858 N PRO A 104 14.004 -6.085 -2.604 1.00 0.00 N ATOM 859 CA PRO A 104 12.925 -7.042 -2.902 1.00 0.00 C ATOM 860 C PRO A 104 12.491 -7.849 -1.679 1.00 0.00 C ATOM 861 O PRO A 104 11.454 -8.510 -1.697 1.00 0.00 O ATOM 862 CB PRO A 104 13.539 -7.960 -3.965 1.00 0.00 C ATOM 863 CG PRO A 104 14.634 -7.154 -4.571 1.00 0.00 C ATOM 864 CD PRO A 104 15.184 -6.321 -3.451 1.00 0.00 C ATOM 0 HA PRO A 104 12.019 -6.533 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 104 13.922 -8.879 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.800 -8.250 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.404 -7.796 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.259 -6.526 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.972 -6.843 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.613 -5.387 -3.815 1.00 0.00 H new ATOM 872 N MET A 105 13.290 -7.787 -0.621 1.00 0.00 N ATOM 873 CA MET A 105 12.947 -8.407 0.652 1.00 0.00 C ATOM 874 C MET A 105 11.718 -7.738 1.270 1.00 0.00 C ATOM 875 O MET A 105 10.975 -8.358 2.030 1.00 0.00 O ATOM 876 CB MET A 105 14.135 -8.304 1.611 1.00 0.00 C ATOM 877 CG MET A 105 13.850 -8.803 3.018 1.00 0.00 C ATOM 878 SD MET A 105 15.253 -8.577 4.125 1.00 0.00 S ATOM 879 CE MET A 105 14.560 -9.162 5.668 1.00 0.00 C ATOM 0 H MET A 105 14.190 -7.308 -0.621 1.00 0.00 H new ATOM 0 HA MET A 105 12.712 -9.457 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 105 14.969 -8.872 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.454 -7.263 1.665 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.985 -8.275 3.420 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.588 -9.860 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 105 15.310 -9.086 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.694 -8.555 5.931 1.00 0.00 H new ATOM 0 HE3 MET A 105 14.254 -10.202 5.558 1.00 0.00 H new ATOM 889 N PHE A 106 11.490 -6.478 0.914 1.00 0.00 N ATOM 890 CA PHE A 106 10.410 -5.700 1.504 1.00 0.00 C ATOM 891 C PHE A 106 9.102 -5.984 0.784 1.00 0.00 C ATOM 892 O PHE A 106 8.025 -5.733 1.319 1.00 0.00 O ATOM 893 CB PHE A 106 10.737 -4.208 1.442 1.00 0.00 C ATOM 894 CG PHE A 106 11.932 -3.816 2.270 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.895 -3.935 3.650 1.00 0.00 C ATOM 896 CD2 PHE A 106 13.093 -3.339 1.673 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.985 -3.585 4.420 1.00 0.00 C ATOM 898 CE2 PHE A 106 14.186 -2.989 2.442 1.00 0.00 C ATOM 899 CZ PHE A 106 14.133 -3.112 3.816 1.00 0.00 C ATOM 0 H PHE A 106 12.041 -5.974 0.218 1.00 0.00 H new ATOM 0 HA PHE A 106 10.302 -5.990 2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.917 -3.927 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.870 -3.641 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.001 -4.307 4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 106 13.141 -3.241 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.940 -3.681 5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.083 -2.619 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.988 -2.839 4.417 1.00 0.00 H new ATOM 909 N LEU A 107 9.220 -6.540 -0.417 1.00 0.00 N ATOM 910 CA LEU A 107 8.077 -6.825 -1.282 1.00 0.00 C ATOM 911 C LEU A 107 7.032 -7.679 -0.575 1.00 0.00 C ATOM 912 O LEU A 107 5.836 -7.410 -0.672 1.00 0.00 O ATOM 913 CB LEU A 107 8.576 -7.521 -2.554 1.00 0.00 C ATOM 914 CG LEU A 107 7.509 -8.098 -3.485 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.532 -7.024 -3.901 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.159 -8.691 -4.717 1.00 0.00 C ATOM 0 H LEU A 107 10.117 -6.808 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 107 7.593 -5.884 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.172 -6.806 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.244 -8.330 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 107 6.971 -8.878 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.780 -7.453 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.045 -6.613 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.065 -6.230 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.390 -9.099 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.713 -7.915 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.843 -9.486 -4.421 1.00 0.00 H new ATOM 928 N ASP A 108 7.485 -8.689 0.152 1.00 0.00 N ATOM 929 CA ASP A 108 6.571 -9.591 0.841 1.00 0.00 C ATOM 930 C ASP A 108 5.795 -8.850 1.925 1.00 0.00 C ATOM 931 O ASP A 108 4.576 -8.966 2.013 1.00 0.00 O ATOM 932 CB ASP A 108 7.342 -10.761 1.456 1.00 0.00 C ATOM 933 CG ASP A 108 6.441 -11.757 2.159 1.00 0.00 C ATOM 934 OD1 ASP A 108 6.163 -11.569 3.361 1.00 0.00 O ATOM 935 OD2 ASP A 108 6.033 -12.748 1.521 1.00 0.00 O ATOM 0 H ASP A 108 8.474 -8.905 0.281 1.00 0.00 H new ATOM 0 HA ASP A 108 5.861 -9.979 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.900 -11.274 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.072 -10.375 2.167 1.00 0.00 H new ATOM 940 N GLN A 109 6.504 -8.044 2.707 1.00 0.00 N ATOM 941 CA GLN A 109 5.907 -7.327 3.826 1.00 0.00 C ATOM 942 C GLN A 109 4.791 -6.398 3.359 1.00 0.00 C ATOM 943 O GLN A 109 3.684 -6.406 3.909 1.00 0.00 O ATOM 944 CB GLN A 109 6.993 -6.519 4.550 1.00 0.00 C ATOM 945 CG GLN A 109 6.445 -5.364 5.370 1.00 0.00 C ATOM 946 CD GLN A 109 7.525 -4.517 6.011 1.00 0.00 C ATOM 947 OE1 GLN A 109 7.985 -4.804 7.116 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.917 -3.449 5.330 1.00 0.00 N ATOM 0 H GLN A 109 7.502 -7.870 2.584 1.00 0.00 H new ATOM 0 HA GLN A 109 5.470 -8.056 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.554 -7.185 5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.696 -6.130 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.830 -4.732 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.792 -5.758 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.509 -3.248 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.626 -2.828 5.719 1.00 0.00 H new ATOM 957 N VAL A 110 5.081 -5.615 2.335 1.00 0.00 N ATOM 958 CA VAL A 110 4.125 -4.658 1.823 1.00 0.00 C ATOM 959 C VAL A 110 2.961 -5.351 1.124 1.00 0.00 C ATOM 960 O VAL A 110 1.803 -5.016 1.365 1.00 0.00 O ATOM 961 CB VAL A 110 4.791 -3.639 0.870 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.459 -2.536 1.648 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.826 -4.306 -0.007 1.00 0.00 C ATOM 0 H VAL A 110 5.974 -5.626 1.843 1.00 0.00 H new ATOM 0 HA VAL A 110 3.734 -4.113 2.682 1.00 0.00 H new ATOM 0 HB VAL A 110 4.002 -3.223 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.921 -1.831 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.716 -2.017 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.224 -2.961 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.277 -3.564 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.599 -4.753 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.350 -5.082 -0.606 1.00 0.00 H new ATOM 973 N ALA A 111 3.269 -6.338 0.289 1.00 0.00 N ATOM 974 CA ALA A 111 2.241 -7.054 -0.464 1.00 0.00 C ATOM 975 C ALA A 111 1.291 -7.802 0.458 1.00 0.00 C ATOM 976 O ALA A 111 0.088 -7.836 0.216 1.00 0.00 O ATOM 977 CB ALA A 111 2.868 -8.016 -1.452 1.00 0.00 C ATOM 0 H ALA A 111 4.221 -6.661 0.116 1.00 0.00 H new ATOM 0 HA ALA A 111 1.665 -6.309 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.083 -8.537 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.494 -7.462 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.479 -8.742 -0.915 1.00 0.00 H new ATOM 983 N LYS A 112 1.830 -8.405 1.507 1.00 0.00 N ATOM 984 CA LYS A 112 1.008 -9.125 2.469 1.00 0.00 C ATOM 985 C LYS A 112 0.025 -8.186 3.158 1.00 0.00 C ATOM 986 O LYS A 112 -1.138 -8.537 3.343 1.00 0.00 O ATOM 987 CB LYS A 112 1.884 -9.845 3.495 1.00 0.00 C ATOM 988 CG LYS A 112 2.604 -11.059 2.921 1.00 0.00 C ATOM 989 CD LYS A 112 1.640 -12.172 2.539 1.00 0.00 C ATOM 990 CE LYS A 112 0.892 -12.702 3.748 1.00 0.00 C ATOM 991 NZ LYS A 112 0.090 -13.911 3.422 1.00 0.00 N ATOM 0 H LYS A 112 2.829 -8.411 1.714 1.00 0.00 H new ATOM 0 HA LYS A 112 0.431 -9.875 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.621 -9.145 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.265 -10.161 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.176 -10.759 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.319 -11.435 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.927 -11.800 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.191 -12.985 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.604 -12.941 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.234 -11.925 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.405 -14.240 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.607 -13.677 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.720 -14.662 3.076 1.00 0.00 H new ATOM 1005 N PHE A 113 0.482 -6.988 3.514 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.397 -5.996 4.129 1.00 0.00 C ATOM 1007 C PHE A 113 -1.452 -5.538 3.121 1.00 0.00 C ATOM 1008 O PHE A 113 -2.615 -5.325 3.470 1.00 0.00 O ATOM 1009 CB PHE A 113 0.410 -4.795 4.636 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.307 -4.011 5.700 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.315 -3.121 5.368 1.00 0.00 C ATOM 1012 CD2 PHE A 113 0.024 -4.176 7.035 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -1.984 -2.412 6.348 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -0.639 -3.468 8.019 1.00 0.00 C ATOM 1015 CZ PHE A 113 -1.644 -2.585 7.676 1.00 0.00 C ATOM 0 H PHE A 113 1.447 -6.682 3.389 1.00 0.00 H new ATOM 0 HA PHE A 113 -0.896 -6.456 4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.363 -5.146 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.636 -4.136 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.581 -2.979 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.809 -4.865 7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.771 -1.724 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.371 -3.605 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.163 -2.031 8.444 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.034 -5.403 1.865 1.00 0.00 N ATOM 1026 CA ILE A 114 -1.946 -5.090 0.776 1.00 0.00 C ATOM 1027 C ILE A 114 -3.049 -6.140 0.696 1.00 0.00 C ATOM 1028 O ILE A 114 -4.232 -5.814 0.569 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.194 -5.052 -0.563 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.242 -3.860 -0.611 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.173 -5.003 -1.721 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.877 -4.033 -1.610 1.00 0.00 C ATOM 0 H ILE A 114 -0.061 -5.507 1.578 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.384 -4.111 0.971 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.603 -5.964 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.807 -2.962 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.185 -3.704 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.623 -4.976 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.809 -5.888 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.791 -4.109 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.518 -3.151 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.465 -4.913 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.457 -4.159 -2.608 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.641 -7.398 0.785 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.568 -8.516 0.775 1.00 0.00 C ATOM 1046 C ILE A 115 -4.510 -8.444 1.964 1.00 0.00 C ATOM 1047 O ILE A 115 -5.708 -8.662 1.827 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.819 -9.861 0.800 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.147 -10.104 -0.547 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.765 -11.002 1.157 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.028 -11.117 -0.497 1.00 0.00 C ATOM 0 H ILE A 115 -1.661 -7.670 0.866 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.145 -8.452 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.048 -9.821 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.898 -10.441 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.753 -9.159 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.213 -11.942 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.196 -10.822 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.563 -11.059 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.600 -11.236 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.256 -10.773 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.419 -12.075 -0.154 1.00 0.00 H new ATOM 1063 N ASP A 116 -3.956 -8.131 3.124 1.00 0.00 N ATOM 1064 CA ASP A 116 -4.733 -8.038 4.358 1.00 0.00 C ATOM 1065 C ASP A 116 -5.932 -7.107 4.191 1.00 0.00 C ATOM 1066 O ASP A 116 -7.007 -7.354 4.741 1.00 0.00 O ATOM 1067 CB ASP A 116 -3.856 -7.541 5.514 1.00 0.00 C ATOM 1068 CG ASP A 116 -2.793 -8.540 5.924 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -3.002 -9.757 5.734 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -1.746 -8.111 6.454 1.00 0.00 O ATOM 0 H ASP A 116 -2.962 -7.935 3.241 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.099 -9.039 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.376 -6.607 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.489 -7.319 6.373 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.733 -6.039 3.425 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.786 -5.058 3.169 1.00 0.00 C ATOM 1077 C ASN A 117 -7.925 -5.643 2.328 1.00 0.00 C ATOM 1078 O ASN A 117 -9.095 -5.321 2.543 1.00 0.00 O ATOM 1079 CB ASN A 117 -6.194 -3.827 2.469 1.00 0.00 C ATOM 1080 CG ASN A 117 -7.254 -2.850 1.988 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.692 -1.971 2.729 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.656 -2.982 0.731 1.00 0.00 N ATOM 0 H ASN A 117 -4.846 -5.829 2.967 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.207 -4.767 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.520 -3.314 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.595 -4.153 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.352 -2.342 0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.269 -3.724 0.147 1.00 0.00 H new ATOM 1089 N THR A 118 -7.587 -6.496 1.372 1.00 0.00 N ATOM 1090 CA THR A 118 -8.582 -7.053 0.467 1.00 0.00 C ATOM 1091 C THR A 118 -9.092 -8.415 0.939 1.00 0.00 C ATOM 1092 O THR A 118 -10.196 -8.835 0.580 1.00 0.00 O ATOM 1093 CB THR A 118 -8.018 -7.171 -0.960 1.00 0.00 C ATOM 1094 OG1 THR A 118 -6.613 -7.459 -0.908 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.260 -5.889 -1.747 1.00 0.00 C ATOM 0 H THR A 118 -6.634 -6.817 1.203 1.00 0.00 H new ATOM 0 HA THR A 118 -9.426 -6.364 0.463 1.00 0.00 H new ATOM 0 HB THR A 118 -8.533 -7.986 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.261 -7.534 -1.819 1.00 0.00 H new ATOM 0 HG21 THR A 118 -7.853 -5.997 -2.752 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.331 -5.696 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.770 -5.055 -1.244 1.00 0.00 H new ATOM 1103 N LYS A 119 -8.286 -9.102 1.736 1.00 0.00 N ATOM 1104 CA LYS A 119 -8.666 -10.395 2.286 1.00 0.00 C ATOM 1105 C LYS A 119 -9.441 -10.193 3.592 1.00 0.00 C ATOM 1106 O LYS A 119 -9.710 -9.061 4.000 1.00 0.00 O ATOM 1107 CB LYS A 119 -7.421 -11.264 2.515 1.00 0.00 C ATOM 1108 CG LYS A 119 -6.799 -11.108 3.890 1.00 0.00 C ATOM 1109 CD LYS A 119 -5.530 -11.929 4.014 1.00 0.00 C ATOM 1110 CE LYS A 119 -5.047 -12.014 5.451 1.00 0.00 C ATOM 1111 NZ LYS A 119 -3.611 -12.388 5.531 1.00 0.00 N ATOM 0 H LYS A 119 -7.359 -8.783 2.017 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.311 -10.912 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.689 -12.310 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.675 -11.016 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.575 -10.057 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.513 -11.420 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.709 -12.934 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.750 -11.487 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.200 -11.053 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.644 -12.748 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.431 -12.885 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.370 -13.011 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.026 -11.529 5.488 1.00 0.00 H new ATOM 1125 N GLY A 120 -9.779 -11.287 4.263 1.00 0.00 N ATOM 1126 CA GLY A 120 -10.573 -11.205 5.470 1.00 0.00 C ATOM 1127 C GLY A 120 -9.748 -10.865 6.696 1.00 0.00 C ATOM 1128 O GLY A 120 -9.973 -11.411 7.773 1.00 0.00 O ATOM 0 H GLY A 120 -9.515 -12.233 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.348 -10.450 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.079 -12.157 5.631 1.00 0.00 H new ATOM 1132 N GLN A 121 -8.800 -9.954 6.541 1.00 0.00 N ATOM 1133 CA GLN A 121 -7.983 -9.514 7.649 1.00 0.00 C ATOM 1134 C GLN A 121 -8.459 -8.152 8.132 1.00 0.00 C ATOM 1135 O GLN A 121 -8.242 -7.776 9.280 1.00 0.00 O ATOM 1136 CB GLN A 121 -6.519 -9.455 7.227 1.00 0.00 C ATOM 1137 CG GLN A 121 -5.580 -9.162 8.375 1.00 0.00 C ATOM 1138 CD GLN A 121 -5.572 -10.266 9.415 1.00 0.00 C ATOM 1139 OE1 GLN A 121 -5.807 -11.432 9.100 1.00 0.00 O ATOM 1140 NE2 GLN A 121 -5.288 -9.909 10.657 1.00 0.00 N ATOM 0 H GLN A 121 -8.581 -9.506 5.651 1.00 0.00 H new ATOM 0 HA GLN A 121 -8.076 -10.225 8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.240 -10.405 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.399 -8.687 6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.570 -9.024 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -5.871 -8.224 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.099 -8.931 10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.258 -10.612 11.395 1.00 0.00 H new ATOM 1149 N MET A 122 -9.126 -7.421 7.245 1.00 0.00 N ATOM 1150 CA MET A 122 -9.667 -6.106 7.578 1.00 0.00 C ATOM 1151 C MET A 122 -10.664 -6.184 8.732 1.00 0.00 C ATOM 1152 O MET A 122 -10.614 -5.389 9.670 1.00 0.00 O ATOM 1153 CB MET A 122 -10.342 -5.490 6.344 1.00 0.00 C ATOM 1154 CG MET A 122 -11.322 -4.371 6.671 1.00 0.00 C ATOM 1155 SD MET A 122 -11.960 -3.537 5.206 1.00 0.00 S ATOM 1156 CE MET A 122 -10.448 -2.879 4.504 1.00 0.00 C ATOM 0 H MET A 122 -9.306 -7.718 6.286 1.00 0.00 H new ATOM 0 HA MET A 122 -8.838 -5.474 7.895 1.00 0.00 H new ATOM 0 HB2 MET A 122 -9.572 -5.102 5.677 1.00 0.00 H new ATOM 0 HB3 MET A 122 -10.869 -6.274 5.801 1.00 0.00 H new ATOM 0 HG2 MET A 122 -12.156 -4.782 7.240 1.00 0.00 H new ATOM 0 HG3 MET A 122 -10.829 -3.640 7.312 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.563 -1.809 4.331 1.00 0.00 H new ATOM 0 HE2 MET A 122 -9.622 -3.049 5.195 1.00 0.00 H new ATOM 0 HE3 MET A 122 -10.238 -3.379 3.558 1.00 0.00 H new ATOM 1166 N LEU A 123 -11.554 -7.162 8.668 1.00 0.00 N ATOM 1167 CA LEU A 123 -12.610 -7.288 9.658 1.00 0.00 C ATOM 1168 C LEU A 123 -12.757 -8.736 10.126 1.00 0.00 C ATOM 1169 O LEU A 123 -13.377 -9.012 11.153 1.00 0.00 O ATOM 1170 CB LEU A 123 -13.926 -6.764 9.065 1.00 0.00 C ATOM 1171 CG LEU A 123 -15.178 -6.960 9.926 1.00 0.00 C ATOM 1172 CD1 LEU A 123 -15.099 -6.119 11.189 1.00 0.00 C ATOM 1173 CD2 LEU A 123 -16.430 -6.619 9.130 1.00 0.00 C ATOM 0 H LEU A 123 -11.566 -7.878 7.942 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.350 -6.692 10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.811 -5.699 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -14.089 -7.254 8.105 1.00 0.00 H new ATOM 0 HG LEU A 123 -15.232 -8.008 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -15.998 -6.273 11.786 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -14.224 -6.414 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -15.018 -5.066 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -17.310 -6.764 9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -16.383 -5.580 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -16.495 -7.269 8.258 1.00 0.00 H new ATOM 1185 N GLY A 124 -12.155 -9.659 9.384 1.00 0.00 N ATOM 1186 CA GLY A 124 -12.282 -11.064 9.715 1.00 0.00 C ATOM 1187 C GLY A 124 -13.504 -11.670 9.069 1.00 0.00 C ATOM 1188 O GLY A 124 -14.459 -12.038 9.758 1.00 0.00 O ATOM 0 H GLY A 124 -11.584 -9.460 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.391 -11.599 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.344 -11.181 10.797 1.00 0.00 H new ATOM 1192 N LEU A 125 -13.470 -11.760 7.741 1.00 0.00 N ATOM 1193 CA LEU A 125 -14.610 -12.223 6.956 1.00 0.00 C ATOM 1194 C LEU A 125 -15.794 -11.276 7.135 1.00 0.00 C ATOM 1195 O LEU A 125 -15.629 -10.141 7.583 1.00 0.00 O ATOM 1196 CB LEU A 125 -15.003 -13.652 7.354 1.00 0.00 C ATOM 1197 CG LEU A 125 -13.911 -14.707 7.160 1.00 0.00 C ATOM 1198 CD1 LEU A 125 -14.407 -16.070 7.613 1.00 0.00 C ATOM 1199 CD2 LEU A 125 -13.466 -14.757 5.705 1.00 0.00 C ATOM 0 H LEU A 125 -12.653 -11.515 7.181 1.00 0.00 H new ATOM 0 HA LEU A 125 -14.322 -12.230 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -15.302 -13.651 8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -15.877 -13.946 6.773 1.00 0.00 H new ATOM 0 HG LEU A 125 -13.051 -14.430 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -13.620 -16.810 7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.676 -16.027 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -15.282 -16.352 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -12.689 -15.513 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.317 -15.010 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -13.072 -13.784 5.411 1.00 0.00 H new ATOM 1211 N GLY A 126 -16.978 -11.734 6.762 1.00 0.00 N ATOM 1212 CA GLY A 126 -18.171 -10.927 6.917 1.00 0.00 C ATOM 1213 C GLY A 126 -19.411 -11.785 6.950 1.00 0.00 C ATOM 1214 O GLY A 126 -20.328 -11.602 6.147 1.00 0.00 O ATOM 0 H GLY A 126 -17.135 -12.655 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -18.103 -10.346 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -18.240 -10.215 6.095 1.00 0.00 H new ATOM 1218 N ASN A 127 -19.432 -12.732 7.877 1.00 0.00 N ATOM 1219 CA ASN A 127 -20.512 -13.705 7.948 1.00 0.00 C ATOM 1220 C ASN A 127 -21.104 -13.760 9.353 1.00 0.00 C ATOM 1221 O ASN A 127 -20.523 -14.363 10.261 1.00 0.00 O ATOM 1222 CB ASN A 127 -20.000 -15.091 7.536 1.00 0.00 C ATOM 1223 CG ASN A 127 -21.097 -16.137 7.502 1.00 0.00 C ATOM 1224 OD1 ASN A 127 -21.383 -16.789 8.504 1.00 0.00 O ATOM 1225 ND2 ASN A 127 -21.702 -16.318 6.341 1.00 0.00 N ATOM 0 H ASN A 127 -18.713 -12.847 8.591 1.00 0.00 H new ATOM 0 HA ASN A 127 -21.298 -13.395 7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -19.537 -15.024 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -19.224 -15.408 8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -22.436 -17.020 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -21.434 -15.755 5.533 1.00 0.00 H new ATOM 1232 N PRO A 128 -22.252 -13.099 9.557 1.00 0.00 N ATOM 1233 CA PRO A 128 -22.981 -13.132 10.824 1.00 0.00 C ATOM 1234 C PRO A 128 -23.777 -14.426 10.983 1.00 0.00 C ATOM 1235 O PRO A 128 -23.420 -15.244 11.857 1.00 0.00 O ATOM 1236 CB PRO A 128 -23.926 -11.917 10.741 1.00 0.00 C ATOM 1237 CG PRO A 128 -23.578 -11.213 9.466 1.00 0.00 C ATOM 1238 CD PRO A 128 -22.934 -12.243 8.583 1.00 0.00 C ATOM 1239 OXT PRO A 128 -24.758 -14.623 10.233 1.00 0.00 O ATOM 0 HA PRO A 128 -22.312 -13.094 11.684 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -24.969 -12.233 10.741 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -23.793 -11.259 11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -24.469 -10.798 8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -22.899 -10.381 9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -23.669 -12.796 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -22.237 -11.795 7.875 1.00 0.00 H new TER 1247 PRO A 128