USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 706 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0.3) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.295 K(o=0.3,f=-8.8!) USER MOD Set 3.1: A 46 MET CE :methyl -159:sc= -2.12 (180deg=-2.82!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= -0.0446 (180deg=0) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.0585 K(o=0.54,f=-0.13) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.598 K(o=0.54,f=-2.6!) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.603 X(o=-0.26,f=0.023) USER MOD Set 5.2: A 26 CYS SG : rot 82:sc= 0.339 USER MOD Set 6.1: A 12 ASN :FLIP amide:sc= -0.906 F(o=-3.8!,f=-0.91) USER MOD Set 6.2: A 16 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000693) USER MOD Single : A 13 SER OG : rot -36:sc= 0.362 USER MOD Single : A 17 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.028) USER MOD Single : A 27 TYR OH : rot -130:sc= -0.122 USER MOD Single : A 32 THR OG1 : rot 85:sc= 0.00534 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.275 F(o=-2!,f=-0.27) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0501 F(o=-2.1,f=-0.05) USER MOD Single : A 37 ASN : amide:sc= -1.42! C(o=-1.4!,f=-6.9!) USER MOD Single : A 42 SER OG : rot -159:sc= 2.4 USER MOD Single : A 43 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.5!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.16) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 56 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.048) USER MOD Single : A 59 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.22) USER MOD Single : A 60 MET CE :methyl 150:sc= -0.499 (180deg=-2.06) USER MOD Single : A 61 CYS SG : rot 75:sc= 0.63 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00977 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 73 HIS : no HE2:sc= -2.58! X(o=-2.6!,f=-3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 1.6 (180deg=1.49) USER MOD Single : A 81 GLN : amide:sc= -6.71! C(o=-6.7!,f=-11!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.03 K(o=1,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 20.014 -5.990 -6.206 1.00 0.00 N ATOM 32 CA PHE A 4 18.964 -5.233 -6.881 1.00 0.00 C ATOM 33 C PHE A 4 19.566 -3.917 -7.330 1.00 0.00 C ATOM 34 O PHE A 4 19.291 -3.410 -8.411 1.00 0.00 O ATOM 35 CB PHE A 4 17.850 -4.964 -5.864 1.00 0.00 C ATOM 36 CG PHE A 4 16.791 -3.964 -6.281 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.012 -2.584 -6.140 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.568 -4.418 -6.796 1.00 0.00 C ATOM 39 CE1 PHE A 4 15.999 -1.676 -6.473 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.562 -3.505 -7.144 1.00 0.00 C ATOM 41 CZ PHE A 4 14.786 -2.126 -7.002 1.00 0.00 C ATOM 0 HA PHE A 4 18.562 -5.775 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.358 -5.910 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.308 -4.613 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 4 17.962 -2.223 -5.775 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.400 -5.477 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.157 -0.619 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.615 -3.862 -7.521 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.026 -1.418 -7.299 1.00 0.00 H new ATOM 51 N GLU A 5 20.412 -3.378 -6.456 1.00 0.00 N ATOM 52 CA GLU A 5 21.163 -2.165 -6.660 1.00 0.00 C ATOM 53 C GLU A 5 21.945 -2.163 -7.966 1.00 0.00 C ATOM 54 O GLU A 5 22.014 -1.129 -8.628 1.00 0.00 O ATOM 55 CB GLU A 5 22.174 -2.108 -5.528 1.00 0.00 C ATOM 56 CG GLU A 5 21.482 -1.989 -4.173 1.00 0.00 C ATOM 57 CD GLU A 5 22.494 -2.089 -3.033 1.00 0.00 C ATOM 58 OE1 GLU A 5 22.964 -3.219 -2.781 1.00 0.00 O ATOM 59 OE2 GLU A 5 22.794 -1.035 -2.423 1.00 0.00 O ATOM 0 H GLU A 5 20.594 -3.803 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 5 20.472 -1.322 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.793 -3.005 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.840 -1.258 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.953 -1.038 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.735 -2.776 -4.071 1.00 0.00 H new ATOM 66 N LYS A 6 22.542 -3.295 -8.352 1.00 0.00 N ATOM 67 CA LYS A 6 23.425 -3.285 -9.500 1.00 0.00 C ATOM 68 C LYS A 6 22.588 -3.283 -10.758 1.00 0.00 C ATOM 69 O LYS A 6 22.912 -2.600 -11.717 1.00 0.00 O ATOM 70 CB LYS A 6 24.317 -4.520 -9.470 1.00 0.00 C ATOM 71 CG LYS A 6 25.661 -4.246 -8.802 1.00 0.00 C ATOM 72 CD LYS A 6 25.519 -3.673 -7.390 1.00 0.00 C ATOM 73 CE LYS A 6 26.919 -3.425 -6.832 1.00 0.00 C ATOM 74 NZ LYS A 6 26.867 -2.817 -5.491 1.00 0.00 N ATOM 0 H LYS A 6 22.429 -4.200 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 6 24.055 -2.396 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.806 -5.322 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.484 -4.870 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.234 -5.172 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.231 -3.548 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.949 -2.744 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.973 -4.367 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.465 -4.367 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.470 -2.771 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.834 -2.662 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.368 -1.906 -5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.362 -3.453 -4.841 1.00 0.00 H new ATOM 88 N GLN A 7 21.495 -4.044 -10.752 1.00 0.00 N ATOM 89 CA GLN A 7 20.514 -4.041 -11.813 1.00 0.00 C ATOM 90 C GLN A 7 19.878 -2.658 -11.954 1.00 0.00 C ATOM 91 O GLN A 7 19.182 -2.394 -12.932 1.00 0.00 O ATOM 92 CB GLN A 7 19.470 -5.083 -11.431 1.00 0.00 C ATOM 93 CG GLN A 7 20.131 -6.448 -11.258 1.00 0.00 C ATOM 94 CD GLN A 7 20.354 -7.114 -12.602 1.00 0.00 C ATOM 95 OE1 GLN A 7 21.234 -6.729 -13.368 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.551 -8.128 -12.895 1.00 0.00 N ATOM 0 H GLN A 7 21.271 -4.687 -9.993 1.00 0.00 H new ATOM 0 HA GLN A 7 20.969 -4.277 -12.775 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.974 -4.790 -10.505 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.701 -5.138 -12.201 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.084 -6.332 -10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 7 19.505 -7.083 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.832 -8.417 -12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.652 -8.618 -13.784 1.00 0.00 H new ATOM 105 N LYS A 8 20.117 -1.776 -10.971 1.00 0.00 N ATOM 106 CA LYS A 8 19.521 -0.457 -10.919 1.00 0.00 C ATOM 107 C LYS A 8 20.513 0.642 -11.279 1.00 0.00 C ATOM 108 O LYS A 8 20.098 1.761 -11.571 1.00 0.00 O ATOM 109 CB LYS A 8 18.969 -0.280 -9.515 1.00 0.00 C ATOM 110 CG LYS A 8 18.090 0.959 -9.422 1.00 0.00 C ATOM 111 CD LYS A 8 17.402 0.925 -8.065 1.00 0.00 C ATOM 112 CE LYS A 8 18.478 0.914 -6.983 1.00 0.00 C ATOM 113 NZ LYS A 8 17.968 1.398 -5.685 1.00 0.00 N ATOM 0 H LYS A 8 20.739 -1.973 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 8 18.726 -0.374 -11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.391 -1.161 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.792 -0.199 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.689 1.864 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.354 0.969 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.753 1.793 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.770 0.041 -7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.862 -0.099 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.314 1.538 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.737 1.389 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.609 2.368 -5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.198 0.778 -5.361 1.00 0.00 H new ATOM 127 N GLU A 9 21.815 0.344 -11.268 1.00 0.00 N ATOM 128 CA GLU A 9 22.800 1.278 -11.796 1.00 0.00 C ATOM 129 C GLU A 9 23.671 0.680 -12.907 1.00 0.00 C ATOM 130 O GLU A 9 24.530 1.382 -13.444 1.00 0.00 O ATOM 131 CB GLU A 9 23.616 1.979 -10.711 1.00 0.00 C ATOM 132 CG GLU A 9 24.350 0.997 -9.821 1.00 0.00 C ATOM 133 CD GLU A 9 25.447 1.687 -9.020 1.00 0.00 C ATOM 134 OE1 GLU A 9 25.108 2.337 -8.006 1.00 0.00 O ATOM 135 OE2 GLU A 9 26.621 1.561 -9.434 1.00 0.00 O ATOM 0 H GLU A 9 22.203 -0.526 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 9 22.215 2.064 -12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.336 2.651 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 9 22.954 2.594 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.644 0.522 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.786 0.206 -10.431 1.00 0.00 H new ATOM 142 N GLN A 10 23.475 -0.590 -13.275 1.00 0.00 N ATOM 143 CA GLN A 10 24.093 -1.140 -14.471 1.00 0.00 C ATOM 144 C GLN A 10 23.341 -0.686 -15.724 1.00 0.00 C ATOM 145 O GLN A 10 23.943 -0.084 -16.608 1.00 0.00 O ATOM 146 CB GLN A 10 24.105 -2.669 -14.373 1.00 0.00 C ATOM 147 CG GLN A 10 24.932 -3.284 -15.500 1.00 0.00 C ATOM 148 CD GLN A 10 24.068 -4.118 -16.435 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.054 -5.343 -16.356 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.334 -3.463 -17.331 1.00 0.00 N ATOM 0 H GLN A 10 22.893 -1.250 -12.759 1.00 0.00 H new ATOM 0 HA GLN A 10 25.118 -0.776 -14.547 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.515 -2.972 -13.410 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.084 -3.048 -14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.423 -2.492 -16.066 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.719 -3.908 -15.076 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.368 -2.444 -17.371 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.738 -3.980 -17.977 1.00 0.00 H new ATOM 159 N GLY A 11 22.034 -0.962 -15.817 1.00 0.00 N ATOM 160 CA GLY A 11 21.226 -0.534 -16.956 1.00 0.00 C ATOM 161 C GLY A 11 21.120 0.988 -16.984 1.00 0.00 C ATOM 162 O GLY A 11 20.877 1.575 -18.031 1.00 0.00 O ATOM 0 H GLY A 11 21.515 -1.483 -15.110 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.673 -0.892 -17.883 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.231 -0.974 -16.891 1.00 0.00 H new ATOM 166 N ASN A 12 21.308 1.620 -15.831 1.00 0.00 N ATOM 167 CA ASN A 12 21.406 3.063 -15.690 1.00 0.00 C ATOM 168 C ASN A 12 22.478 3.596 -16.627 1.00 0.00 C ATOM 169 O ASN A 12 22.245 4.553 -17.358 1.00 0.00 O ATOM 170 CB ASN A 12 21.785 3.240 -14.228 1.00 0.00 C ATOM 171 CG ASN A 12 22.326 4.574 -13.740 1.00 0.00 C ATOM 172 OD1 ASN A 12 22.881 4.513 -12.530 1.00 0.00 O flip ATOM 173 ND2 ASN A 12 22.252 5.604 -14.402 1.00 0.00 N flip ATOM 0 H ASN A 12 21.399 1.125 -14.944 1.00 0.00 H new ATOM 0 HA ASN A 12 20.494 3.604 -15.945 1.00 0.00 H new ATOM 0 HB2 ASN A 12 20.900 3.012 -13.634 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.531 2.482 -13.992 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.815 5.588 -15.323 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.628 6.477 -14.031 1.00 0.00 H new ATOM 180 N SER A 13 23.655 2.965 -16.607 1.00 0.00 N ATOM 181 CA SER A 13 24.771 3.366 -17.446 1.00 0.00 C ATOM 182 C SER A 13 24.543 2.956 -18.901 1.00 0.00 C ATOM 183 O SER A 13 25.375 3.234 -19.760 1.00 0.00 O ATOM 184 CB SER A 13 26.053 2.741 -16.895 1.00 0.00 C ATOM 185 OG SER A 13 27.188 3.289 -17.533 1.00 0.00 O ATOM 0 H SER A 13 23.854 2.164 -16.008 1.00 0.00 H new ATOM 0 HA SER A 13 24.861 4.452 -17.430 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.115 2.913 -15.820 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.031 1.662 -17.044 1.00 0.00 H new ATOM 0 HG SER A 13 26.984 3.456 -18.477 1.00 0.00 H new ATOM 191 N LEU A 14 23.414 2.299 -19.188 1.00 0.00 N ATOM 192 CA LEU A 14 22.978 2.006 -20.548 1.00 0.00 C ATOM 193 C LEU A 14 21.841 2.959 -20.941 1.00 0.00 C ATOM 194 O LEU A 14 21.694 3.306 -22.110 1.00 0.00 O ATOM 195 CB LEU A 14 22.494 0.552 -20.618 1.00 0.00 C ATOM 196 CG LEU A 14 23.598 -0.477 -20.847 1.00 0.00 C ATOM 197 CD1 LEU A 14 24.310 -0.669 -19.534 1.00 0.00 C ATOM 198 CD2 LEU A 14 22.991 -1.822 -21.233 1.00 0.00 C ATOM 0 H LEU A 14 22.774 1.954 -18.472 1.00 0.00 H new ATOM 0 HA LEU A 14 23.809 2.144 -21.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.977 0.310 -19.689 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.763 0.465 -21.421 1.00 0.00 H new ATOM 0 HG LEU A 14 24.265 -0.132 -21.638 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.109 -1.400 -19.657 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.734 0.281 -19.208 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.603 -1.027 -18.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.788 -2.548 -21.394 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.339 -2.170 -20.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.412 -1.710 -22.150 1.00 0.00 H new ATOM 210 N PHE A 15 21.035 3.392 -19.966 1.00 0.00 N ATOM 211 CA PHE A 15 19.921 4.302 -20.190 1.00 0.00 C ATOM 212 C PHE A 15 20.426 5.682 -20.578 1.00 0.00 C ATOM 213 O PHE A 15 19.710 6.446 -21.222 1.00 0.00 O ATOM 214 CB PHE A 15 19.112 4.398 -18.893 1.00 0.00 C ATOM 215 CG PHE A 15 18.251 5.635 -18.764 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.994 5.691 -19.384 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.712 6.725 -18.016 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.197 6.834 -19.245 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.903 7.854 -17.850 1.00 0.00 C ATOM 220 CZ PHE A 15 16.647 7.913 -18.467 1.00 0.00 C ATOM 0 H PHE A 15 21.144 3.114 -18.991 1.00 0.00 H new ATOM 0 HA PHE A 15 19.300 3.925 -21.003 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.472 3.519 -18.816 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.802 4.365 -18.050 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.641 4.854 -19.968 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.694 6.694 -17.567 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.236 6.886 -19.736 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.247 8.680 -17.246 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.025 8.787 -18.345 1.00 0.00 H new ATOM 230 N LYS A 16 21.659 6.008 -20.189 1.00 0.00 N ATOM 231 CA LYS A 16 22.214 7.325 -20.413 1.00 0.00 C ATOM 232 C LYS A 16 23.207 7.337 -21.577 1.00 0.00 C ATOM 233 O LYS A 16 23.994 8.272 -21.710 1.00 0.00 O ATOM 234 CB LYS A 16 22.808 7.807 -19.096 1.00 0.00 C ATOM 235 CG LYS A 16 24.037 7.007 -18.672 1.00 0.00 C ATOM 236 CD LYS A 16 24.208 7.047 -17.154 1.00 0.00 C ATOM 237 CE LYS A 16 24.003 8.446 -16.580 1.00 0.00 C ATOM 238 NZ LYS A 16 24.290 8.467 -15.132 1.00 0.00 N ATOM 0 H LYS A 16 22.291 5.364 -19.713 1.00 0.00 H new ATOM 0 HA LYS A 16 21.435 8.022 -20.721 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.079 8.859 -19.189 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.050 7.741 -18.315 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.938 5.974 -19.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 24.926 7.413 -19.154 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.497 6.361 -16.693 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.206 6.694 -16.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.653 9.154 -17.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.977 8.769 -16.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.593 9.422 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.432 8.207 -14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.047 7.787 -14.918 1.00 0.00 H new ATOM 252 N GLN A 17 23.167 6.297 -22.418 1.00 0.00 N ATOM 253 CA GLN A 17 24.037 6.145 -23.568 1.00 0.00 C ATOM 254 C GLN A 17 23.257 6.071 -24.879 1.00 0.00 C ATOM 255 O GLN A 17 23.868 6.031 -25.947 1.00 0.00 O ATOM 256 CB GLN A 17 24.831 4.857 -23.395 1.00 0.00 C ATOM 257 CG GLN A 17 25.802 5.002 -22.231 1.00 0.00 C ATOM 258 CD GLN A 17 26.908 3.952 -22.292 1.00 0.00 C ATOM 259 OE1 GLN A 17 28.090 4.278 -22.214 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.542 2.681 -22.437 1.00 0.00 N ATOM 0 H GLN A 17 22.510 5.525 -22.307 1.00 0.00 H new ATOM 0 HA GLN A 17 24.688 7.017 -23.621 1.00 0.00 H new ATOM 0 HB2 GLN A 17 24.153 4.023 -23.213 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.378 4.630 -24.310 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.243 5.998 -22.246 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.260 4.907 -21.290 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.553 2.439 -22.499 1.00 0.00 H new ATOM 0 HE22 GLN A 17 27.250 1.949 -22.486 1.00 0.00 H new ATOM 269 N GLY A 18 21.923 6.053 -24.809 1.00 0.00 N ATOM 270 CA GLY A 18 21.101 5.935 -26.008 1.00 0.00 C ATOM 271 C GLY A 18 20.203 4.725 -25.980 1.00 0.00 C ATOM 272 O GLY A 18 19.074 4.755 -26.465 1.00 0.00 O ATOM 0 H GLY A 18 21.395 6.118 -23.939 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.492 6.832 -26.116 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.748 5.882 -26.884 1.00 0.00 H new ATOM 276 N LEU A 19 20.734 3.655 -25.398 1.00 0.00 N ATOM 277 CA LEU A 19 20.122 2.355 -25.466 1.00 0.00 C ATOM 278 C LEU A 19 19.176 2.149 -24.301 1.00 0.00 C ATOM 279 O LEU A 19 19.403 1.344 -23.396 1.00 0.00 O ATOM 280 CB LEU A 19 21.190 1.285 -25.576 1.00 0.00 C ATOM 281 CG LEU A 19 22.508 1.538 -24.838 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.914 0.264 -24.103 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.604 1.908 -25.831 1.00 0.00 C ATOM 0 H LEU A 19 21.604 3.677 -24.867 1.00 0.00 H new ATOM 0 HA LEU A 19 19.511 2.280 -26.365 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.770 0.349 -25.208 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.416 1.140 -26.632 1.00 0.00 H new ATOM 0 HG LEU A 19 22.373 2.358 -24.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.852 0.433 -23.574 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.137 -0.007 -23.388 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.043 -0.545 -24.822 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.536 2.086 -25.295 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.743 1.092 -26.540 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.317 2.811 -26.369 1.00 0.00 H new ATOM 295 N TYR A 20 18.090 2.914 -24.356 1.00 0.00 N ATOM 296 CA TYR A 20 17.052 2.928 -23.351 1.00 0.00 C ATOM 297 C TYR A 20 16.484 1.539 -23.135 1.00 0.00 C ATOM 298 O TYR A 20 16.168 1.198 -22.007 1.00 0.00 O ATOM 299 CB TYR A 20 15.968 3.880 -23.848 1.00 0.00 C ATOM 300 CG TYR A 20 16.550 5.200 -24.294 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.445 5.879 -23.450 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.213 5.740 -25.544 1.00 0.00 C ATOM 303 CE1 TYR A 20 18.018 7.091 -23.866 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.776 6.955 -25.960 1.00 0.00 C ATOM 305 CZ TYR A 20 17.686 7.635 -25.123 1.00 0.00 C ATOM 306 OH TYR A 20 18.239 8.815 -25.525 1.00 0.00 O ATOM 0 H TYR A 20 17.910 3.557 -25.127 1.00 0.00 H new ATOM 0 HA TYR A 20 17.452 3.257 -22.392 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.431 3.420 -24.677 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.242 4.052 -23.054 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.692 5.469 -22.482 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.519 5.219 -26.187 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.714 7.607 -23.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.513 7.371 -26.922 1.00 0.00 H new ATOM 0 HH TYR A 20 17.904 9.046 -26.416 1.00 0.00 H new ATOM 316 N ARG A 21 16.355 0.733 -24.196 1.00 0.00 N ATOM 317 CA ARG A 21 15.726 -0.571 -24.081 1.00 0.00 C ATOM 318 C ARG A 21 16.675 -1.545 -23.413 1.00 0.00 C ATOM 319 O ARG A 21 16.257 -2.282 -22.528 1.00 0.00 O ATOM 320 CB ARG A 21 15.413 -1.085 -25.487 1.00 0.00 C ATOM 321 CG ARG A 21 14.048 -1.759 -25.591 1.00 0.00 C ATOM 322 CD ARG A 21 13.701 -2.695 -24.426 1.00 0.00 C ATOM 323 NE ARG A 21 12.408 -3.356 -24.650 1.00 0.00 N ATOM 324 CZ ARG A 21 11.225 -2.732 -24.698 1.00 0.00 C ATOM 325 NH1 ARG A 21 11.127 -1.421 -24.505 1.00 0.00 N ATOM 326 NH2 ARG A 21 10.123 -3.433 -24.945 1.00 0.00 N ATOM 0 H ARG A 21 16.678 0.967 -25.135 1.00 0.00 H new ATOM 0 HA ARG A 21 14.816 -0.485 -23.487 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.454 -0.252 -26.189 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.185 -1.794 -25.788 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.282 -0.987 -25.659 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.010 -2.328 -26.520 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.483 -3.446 -24.313 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.667 -2.127 -23.496 1.00 0.00 H new ATOM 0 HE ARG A 21 12.412 -4.368 -24.779 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.964 -0.869 -24.316 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.215 -0.966 -24.546 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.182 -4.440 -25.096 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.218 -2.964 -24.983 1.00 0.00 H new ATOM 340 N GLU A 22 17.941 -1.545 -23.831 1.00 0.00 N ATOM 341 CA GLU A 22 18.938 -2.432 -23.241 1.00 0.00 C ATOM 342 C GLU A 22 19.089 -2.110 -21.755 1.00 0.00 C ATOM 343 O GLU A 22 19.480 -2.968 -20.964 1.00 0.00 O ATOM 344 CB GLU A 22 20.278 -2.267 -23.956 1.00 0.00 C ATOM 345 CG GLU A 22 20.151 -2.557 -25.449 1.00 0.00 C ATOM 346 CD GLU A 22 21.505 -2.511 -26.153 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.381 -3.319 -25.771 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.656 -1.673 -27.073 1.00 0.00 O ATOM 0 H GLU A 22 18.297 -0.943 -24.573 1.00 0.00 H new ATOM 0 HA GLU A 22 18.612 -3.466 -23.353 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.647 -1.252 -23.811 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.013 -2.940 -23.514 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.701 -3.539 -25.591 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.480 -1.829 -25.905 1.00 0.00 H new ATOM 355 N ALA A 23 18.771 -0.867 -21.385 1.00 0.00 N ATOM 356 CA ALA A 23 18.778 -0.428 -20.009 1.00 0.00 C ATOM 357 C ALA A 23 17.600 -1.023 -19.239 1.00 0.00 C ATOM 358 O ALA A 23 17.752 -1.406 -18.082 1.00 0.00 O ATOM 359 CB ALA A 23 18.692 1.094 -20.001 1.00 0.00 C ATOM 0 H ALA A 23 18.501 -0.139 -22.047 1.00 0.00 H new ATOM 0 HA ALA A 23 19.693 -0.763 -19.521 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.695 1.453 -18.972 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.548 1.510 -20.533 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.771 1.409 -20.492 1.00 0.00 H new ATOM 365 N VAL A 24 16.422 -1.104 -19.869 1.00 0.00 N ATOM 366 CA VAL A 24 15.223 -1.594 -19.235 1.00 0.00 C ATOM 367 C VAL A 24 15.322 -3.094 -19.106 1.00 0.00 C ATOM 368 O VAL A 24 14.765 -3.724 -18.214 1.00 0.00 O ATOM 369 CB VAL A 24 13.970 -1.256 -20.033 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.987 0.069 -20.767 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.354 -2.372 -20.853 1.00 0.00 C ATOM 0 H VAL A 24 16.288 -0.825 -20.841 1.00 0.00 H new ATOM 0 HA VAL A 24 15.140 -1.114 -18.260 1.00 0.00 H new ATOM 0 HB VAL A 24 13.269 -1.119 -19.210 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.045 0.202 -21.299 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.117 0.880 -20.051 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.811 0.079 -21.480 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.470 -1.998 -21.370 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.079 -2.729 -21.584 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.069 -3.193 -20.195 1.00 0.00 H new ATOM 381 N HIS A 25 16.065 -3.640 -20.051 1.00 0.00 N ATOM 382 CA HIS A 25 16.341 -5.047 -20.167 1.00 0.00 C ATOM 383 C HIS A 25 17.157 -5.571 -18.980 1.00 0.00 C ATOM 384 O HIS A 25 17.435 -6.764 -18.908 1.00 0.00 O ATOM 385 CB HIS A 25 17.075 -5.255 -21.481 1.00 0.00 C ATOM 386 CG HIS A 25 16.454 -6.307 -22.349 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.100 -7.605 -21.978 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.122 -6.101 -23.652 1.00 0.00 C ATOM 389 CE1 HIS A 25 15.553 -8.141 -23.081 1.00 0.00 C ATOM 390 NE2 HIS A 25 15.559 -7.267 -24.102 1.00 0.00 N ATOM 0 H HIS A 25 16.507 -3.087 -20.785 1.00 0.00 H new ATOM 0 HA HIS A 25 15.409 -5.612 -20.156 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.101 -4.312 -22.027 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.109 -5.531 -21.272 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.273 -5.195 -24.221 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.159 -9.145 -23.140 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.207 -7.440 -25.044 1.00 0.00 H new ATOM 398 N CYS A 26 17.534 -4.680 -18.056 1.00 0.00 N ATOM 399 CA CYS A 26 18.214 -5.025 -16.817 1.00 0.00 C ATOM 400 C CYS A 26 17.420 -4.462 -15.636 1.00 0.00 C ATOM 401 O CYS A 26 17.434 -5.016 -14.541 1.00 0.00 O ATOM 402 CB CYS A 26 19.639 -4.468 -16.835 1.00 0.00 C ATOM 403 SG CYS A 26 20.535 -5.119 -18.270 1.00 0.00 S ATOM 0 H CYS A 26 17.368 -3.679 -18.158 1.00 0.00 H new ATOM 0 HA CYS A 26 18.275 -6.108 -16.714 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.613 -3.379 -16.874 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.158 -4.741 -15.916 1.00 0.00 H new ATOM 0 HG CYS A 26 20.234 -4.419 -19.323 1.00 0.00 H new ATOM 409 N TYR A 27 16.722 -3.354 -15.882 1.00 0.00 N ATOM 410 CA TYR A 27 15.734 -2.765 -14.987 1.00 0.00 C ATOM 411 C TYR A 27 14.593 -3.738 -14.739 1.00 0.00 C ATOM 412 O TYR A 27 14.036 -3.756 -13.649 1.00 0.00 O ATOM 413 CB TYR A 27 15.144 -1.577 -15.739 1.00 0.00 C ATOM 414 CG TYR A 27 15.991 -0.336 -15.891 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.221 -0.187 -15.234 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.494 0.698 -16.698 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.928 1.016 -15.352 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.177 1.907 -16.806 1.00 0.00 C ATOM 419 CZ TYR A 27 17.405 2.073 -16.131 1.00 0.00 C ATOM 420 OH TYR A 27 18.078 3.250 -16.224 1.00 0.00 O ATOM 0 H TYR A 27 16.836 -2.823 -16.745 1.00 0.00 H new ATOM 0 HA TYR A 27 16.197 -2.498 -14.037 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.871 -1.918 -16.738 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.220 -1.290 -15.236 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.621 -0.996 -14.640 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.572 0.555 -17.242 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.875 1.136 -14.847 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.770 2.711 -17.401 1.00 0.00 H new ATOM 0 HH TYR A 27 17.466 3.992 -16.037 1.00 0.00 H new ATOM 430 N ASP A 28 14.240 -4.548 -15.742 1.00 0.00 N ATOM 431 CA ASP A 28 13.111 -5.451 -15.647 1.00 0.00 C ATOM 432 C ASP A 28 13.336 -6.480 -14.549 1.00 0.00 C ATOM 433 O ASP A 28 12.376 -7.008 -13.993 1.00 0.00 O ATOM 434 CB ASP A 28 12.898 -6.114 -17.009 1.00 0.00 C ATOM 435 CG ASP A 28 11.605 -6.920 -17.035 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.532 -6.274 -17.009 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.699 -8.169 -17.093 1.00 0.00 O ATOM 0 H ASP A 28 14.732 -4.589 -16.634 1.00 0.00 H new ATOM 0 HA ASP A 28 12.212 -4.896 -15.380 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.869 -5.351 -17.787 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.741 -6.767 -17.234 1.00 0.00 H new ATOM 442 N GLN A 29 14.605 -6.771 -14.228 1.00 0.00 N ATOM 443 CA GLN A 29 14.906 -7.680 -13.141 1.00 0.00 C ATOM 444 C GLN A 29 14.735 -7.011 -11.779 1.00 0.00 C ATOM 445 O GLN A 29 14.680 -7.710 -10.771 1.00 0.00 O ATOM 446 CB GLN A 29 16.314 -8.248 -13.291 1.00 0.00 C ATOM 447 CG GLN A 29 16.395 -9.134 -14.534 1.00 0.00 C ATOM 448 CD GLN A 29 17.048 -8.428 -15.717 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.256 -8.205 -15.711 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.265 -8.076 -16.736 1.00 0.00 N ATOM 0 H GLN A 29 15.422 -6.390 -14.706 1.00 0.00 H new ATOM 0 HA GLN A 29 14.191 -8.501 -13.192 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.036 -7.435 -13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.577 -8.826 -12.405 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.960 -10.035 -14.297 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.391 -9.452 -14.815 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.266 -8.278 -16.705 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.665 -7.604 -17.547 1.00 0.00 H new ATOM 459 N LEU A 30 14.645 -5.678 -11.719 1.00 0.00 N ATOM 460 CA LEU A 30 14.320 -4.995 -10.472 1.00 0.00 C ATOM 461 C LEU A 30 12.907 -5.379 -10.078 1.00 0.00 C ATOM 462 O LEU A 30 12.613 -5.608 -8.909 1.00 0.00 O ATOM 463 CB LEU A 30 14.347 -3.479 -10.668 1.00 0.00 C ATOM 464 CG LEU A 30 15.699 -2.942 -11.107 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.675 -1.419 -11.086 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.812 -3.428 -10.188 1.00 0.00 C ATOM 0 H LEU A 30 14.792 -5.058 -12.516 1.00 0.00 H new ATOM 0 HA LEU A 30 15.047 -5.279 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.599 -3.205 -11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.060 -2.996 -9.734 1.00 0.00 H new ATOM 0 HG LEU A 30 15.893 -3.306 -12.116 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.645 -1.035 -11.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.904 -1.058 -11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.459 -1.072 -10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.766 -3.027 -10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.618 -3.089 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.849 -4.517 -10.206 1.00 0.00 H new ATOM 478 N ILE A 31 12.035 -5.451 -11.080 1.00 0.00 N ATOM 479 CA ILE A 31 10.641 -5.756 -10.854 1.00 0.00 C ATOM 480 C ILE A 31 10.440 -7.254 -10.715 1.00 0.00 C ATOM 481 O ILE A 31 9.619 -7.704 -9.932 1.00 0.00 O ATOM 482 CB ILE A 31 9.798 -5.204 -12.004 1.00 0.00 C ATOM 483 CG1 ILE A 31 10.118 -3.735 -12.298 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.373 -5.260 -11.508 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.972 -3.624 -13.551 1.00 0.00 C ATOM 0 H ILE A 31 12.279 -5.300 -12.059 1.00 0.00 H new ATOM 0 HA ILE A 31 10.321 -5.284 -9.925 1.00 0.00 H new ATOM 0 HB ILE A 31 9.986 -5.777 -12.912 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.193 -3.173 -12.428 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.643 -3.293 -11.451 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.704 -4.879 -12.280 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.109 -6.292 -11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.276 -4.650 -10.610 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.193 -2.575 -13.749 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.904 -4.170 -13.405 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.432 -4.048 -14.398 1.00 0.00 H new ATOM 497 N THR A 32 11.176 -8.068 -11.458 1.00 0.00 N ATOM 498 CA THR A 32 11.022 -9.502 -11.286 1.00 0.00 C ATOM 499 C THR A 32 11.644 -9.964 -9.974 1.00 0.00 C ATOM 500 O THR A 32 11.211 -10.976 -9.422 1.00 0.00 O ATOM 501 CB THR A 32 11.699 -10.177 -12.476 1.00 0.00 C ATOM 502 OG1 THR A 32 10.953 -9.927 -13.644 1.00 0.00 O ATOM 503 CG2 THR A 32 11.864 -11.686 -12.307 1.00 0.00 C ATOM 0 H THR A 32 11.858 -7.776 -12.158 1.00 0.00 H new ATOM 0 HA THR A 32 9.966 -9.769 -11.245 1.00 0.00 H new ATOM 0 HB THR A 32 12.700 -9.751 -12.546 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.223 -9.066 -14.027 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.352 -12.100 -13.190 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.474 -11.889 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.884 -12.148 -12.184 1.00 0.00 H new ATOM 511 N ALA A 33 12.648 -9.247 -9.458 1.00 0.00 N ATOM 512 CA ALA A 33 13.242 -9.608 -8.182 1.00 0.00 C ATOM 513 C ALA A 33 12.430 -9.010 -7.036 1.00 0.00 C ATOM 514 O ALA A 33 12.407 -9.556 -5.935 1.00 0.00 O ATOM 515 CB ALA A 33 14.676 -9.084 -8.106 1.00 0.00 C ATOM 0 H ALA A 33 13.057 -8.425 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 33 13.245 -10.695 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.114 -9.359 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.266 -9.520 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.672 -7.999 -8.205 1.00 0.00 H new ATOM 521 N GLN A 34 11.763 -7.886 -7.305 1.00 0.00 N ATOM 522 CA GLN A 34 10.949 -7.179 -6.345 1.00 0.00 C ATOM 523 C GLN A 34 9.745 -6.577 -7.055 1.00 0.00 C ATOM 524 O GLN A 34 9.641 -5.374 -7.261 1.00 0.00 O ATOM 525 CB GLN A 34 11.850 -6.114 -5.748 1.00 0.00 C ATOM 526 CG GLN A 34 11.635 -5.864 -4.261 1.00 0.00 C ATOM 527 CD GLN A 34 12.717 -4.889 -3.831 1.00 0.00 C ATOM 528 OE1 GLN A 34 13.943 -5.162 -4.271 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 12.462 -3.916 -3.128 1.00 0.00 N flip ATOM 0 H GLN A 34 11.782 -7.440 -8.222 1.00 0.00 H new ATOM 0 HA GLN A 34 10.559 -7.826 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.889 -6.404 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.693 -5.180 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.644 -5.451 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.703 -6.794 -3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.505 -3.749 -2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.207 -3.274 -2.856 1.00 0.00 H new ATOM 538 N PRO A 35 8.811 -7.436 -7.443 1.00 0.00 N ATOM 539 CA PRO A 35 7.650 -7.057 -8.228 1.00 0.00 C ATOM 540 C PRO A 35 6.698 -6.213 -7.407 1.00 0.00 C ATOM 541 O PRO A 35 5.742 -5.634 -7.913 1.00 0.00 O ATOM 542 CB PRO A 35 7.060 -8.369 -8.699 1.00 0.00 C ATOM 543 CG PRO A 35 7.713 -9.477 -7.876 1.00 0.00 C ATOM 544 CD PRO A 35 8.856 -8.840 -7.119 1.00 0.00 C ATOM 0 HA PRO A 35 7.892 -6.425 -9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.978 -8.375 -8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.249 -8.517 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.994 -9.923 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.075 -10.277 -8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.749 -8.997 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.810 -9.278 -7.412 1.00 0.00 H new ATOM 552 N GLN A 36 7.015 -6.175 -6.120 1.00 0.00 N ATOM 553 CA GLN A 36 6.413 -5.260 -5.164 1.00 0.00 C ATOM 554 C GLN A 36 7.375 -4.146 -4.761 1.00 0.00 C ATOM 555 O GLN A 36 7.566 -3.873 -3.578 1.00 0.00 O ATOM 556 CB GLN A 36 5.863 -5.993 -3.941 1.00 0.00 C ATOM 557 CG GLN A 36 4.933 -7.151 -4.302 1.00 0.00 C ATOM 558 CD GLN A 36 5.628 -8.472 -3.996 1.00 0.00 C ATOM 559 OE1 GLN A 36 6.555 -8.864 -4.863 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 5.341 -9.130 -2.999 1.00 0.00 N flip ATOM 0 H GLN A 36 7.712 -6.793 -5.704 1.00 0.00 H new ATOM 0 HA GLN A 36 5.567 -4.792 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.695 -6.374 -3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.324 -5.284 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.004 -7.076 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.667 -7.103 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.623 -8.795 -2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.821 -10.011 -2.814 1.00 0.00 H new ATOM 569 N ASN A 37 7.983 -3.504 -5.760 1.00 0.00 N ATOM 570 CA ASN A 37 8.874 -2.375 -5.562 1.00 0.00 C ATOM 571 C ASN A 37 8.655 -1.382 -6.702 1.00 0.00 C ATOM 572 O ASN A 37 8.525 -1.785 -7.856 1.00 0.00 O ATOM 573 CB ASN A 37 10.314 -2.880 -5.508 1.00 0.00 C ATOM 574 CG ASN A 37 11.115 -2.414 -6.706 1.00 0.00 C ATOM 575 OD1 ASN A 37 11.748 -1.368 -6.673 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.084 -3.193 -7.775 1.00 0.00 N ATOM 0 H ASN A 37 7.864 -3.762 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 37 8.667 -1.866 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.789 -2.528 -4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.317 -3.969 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.601 -2.929 -8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.543 -4.058 -7.760 1.00 0.00 H new ATOM 583 N PRO A 38 8.609 -0.084 -6.394 1.00 0.00 N ATOM 584 CA PRO A 38 8.332 0.959 -7.365 1.00 0.00 C ATOM 585 C PRO A 38 9.525 1.381 -8.197 1.00 0.00 C ATOM 586 O PRO A 38 9.369 1.649 -9.386 1.00 0.00 O ATOM 587 CB PRO A 38 8.011 2.184 -6.528 1.00 0.00 C ATOM 588 CG PRO A 38 7.965 1.749 -5.075 1.00 0.00 C ATOM 589 CD PRO A 38 8.791 0.477 -5.073 1.00 0.00 C ATOM 0 HA PRO A 38 7.560 0.590 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.767 2.955 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.056 2.614 -6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.387 2.506 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.944 1.567 -4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.842 0.688 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.453 -0.213 -4.300 1.00 0.00 H new ATOM 597 N VAL A 39 10.717 1.448 -7.595 1.00 0.00 N ATOM 598 CA VAL A 39 11.849 1.972 -8.332 1.00 0.00 C ATOM 599 C VAL A 39 12.121 1.087 -9.541 1.00 0.00 C ATOM 600 O VAL A 39 12.638 1.522 -10.566 1.00 0.00 O ATOM 601 CB VAL A 39 13.061 2.150 -7.437 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.851 0.930 -7.106 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.080 2.892 -8.244 1.00 0.00 C ATOM 0 H VAL A 39 10.911 1.156 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 39 11.612 2.970 -8.700 1.00 0.00 H new ATOM 0 HB VAL A 39 12.649 2.590 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.687 1.202 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.213 0.212 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.232 0.483 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.977 3.047 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.333 2.312 -9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.673 3.857 -8.545 1.00 0.00 H new ATOM 613 N GLY A 40 11.746 -0.176 -9.387 1.00 0.00 N ATOM 614 CA GLY A 40 11.764 -1.165 -10.460 1.00 0.00 C ATOM 615 C GLY A 40 11.007 -0.616 -11.656 1.00 0.00 C ATOM 616 O GLY A 40 11.529 -0.583 -12.769 1.00 0.00 O ATOM 0 H GLY A 40 11.415 -0.550 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.792 -1.397 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.308 -2.095 -10.121 1.00 0.00 H new ATOM 620 N TYR A 41 9.774 -0.174 -11.422 1.00 0.00 N ATOM 621 CA TYR A 41 8.918 0.333 -12.472 1.00 0.00 C ATOM 622 C TYR A 41 9.417 1.698 -12.917 1.00 0.00 C ATOM 623 O TYR A 41 9.232 2.067 -14.069 1.00 0.00 O ATOM 624 CB TYR A 41 7.498 0.448 -11.916 1.00 0.00 C ATOM 625 CG TYR A 41 6.800 -0.871 -11.709 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.228 -1.536 -12.805 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.720 -1.432 -10.429 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.581 -2.768 -12.621 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.080 -2.662 -10.235 1.00 0.00 C ATOM 630 CZ TYR A 41 5.505 -3.335 -11.333 1.00 0.00 C ATOM 631 OH TYR A 41 4.878 -4.528 -11.150 1.00 0.00 O ATOM 0 H TYR A 41 9.347 -0.160 -10.496 1.00 0.00 H new ATOM 0 HA TYR A 41 8.927 -0.338 -13.331 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.536 0.978 -10.964 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.903 1.057 -12.597 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.286 -1.099 -13.791 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.154 -0.913 -9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.142 -3.280 -13.465 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.027 -3.094 -9.247 1.00 0.00 H new ATOM 0 HH TYR A 41 4.917 -4.776 -10.203 1.00 0.00 H new ATOM 641 N SER A 42 10.048 2.447 -12.008 1.00 0.00 N ATOM 642 CA SER A 42 10.494 3.803 -12.285 1.00 0.00 C ATOM 643 C SER A 42 11.641 3.818 -13.295 1.00 0.00 C ATOM 644 O SER A 42 11.664 4.667 -14.185 1.00 0.00 O ATOM 645 CB SER A 42 10.948 4.448 -10.977 1.00 0.00 C ATOM 646 OG SER A 42 11.533 5.700 -11.241 1.00 0.00 O ATOM 0 H SER A 42 10.261 2.126 -11.064 1.00 0.00 H new ATOM 0 HA SER A 42 9.665 4.363 -12.717 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.098 4.568 -10.306 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.665 3.801 -10.471 1.00 0.00 H new ATOM 0 HG SER A 42 12.109 5.957 -10.491 1.00 0.00 H new ATOM 652 N ASN A 43 12.589 2.885 -13.174 1.00 0.00 N ATOM 653 CA ASN A 43 13.700 2.786 -14.108 1.00 0.00 C ATOM 654 C ASN A 43 13.180 2.403 -15.498 1.00 0.00 C ATOM 655 O ASN A 43 13.404 3.121 -16.471 1.00 0.00 O ATOM 656 CB ASN A 43 14.676 1.726 -13.605 1.00 0.00 C ATOM 657 CG ASN A 43 15.549 2.214 -12.468 1.00 0.00 C ATOM 658 OD1 ASN A 43 16.502 2.955 -12.677 1.00 0.00 O ATOM 659 ND2 ASN A 43 15.237 1.809 -11.246 1.00 0.00 N ATOM 0 H ASN A 43 12.604 2.186 -12.431 1.00 0.00 H new ATOM 0 HA ASN A 43 14.208 3.748 -14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.115 0.852 -13.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.311 1.404 -14.431 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.796 2.114 -10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.438 1.192 -11.102 1.00 0.00 H new ATOM 666 N LYS A 44 12.480 1.263 -15.586 1.00 0.00 N ATOM 667 CA LYS A 44 11.875 0.747 -16.815 1.00 0.00 C ATOM 668 C LYS A 44 10.955 1.804 -17.420 1.00 0.00 C ATOM 669 O LYS A 44 10.885 1.926 -18.639 1.00 0.00 O ATOM 670 CB LYS A 44 11.111 -0.520 -16.436 1.00 0.00 C ATOM 671 CG LYS A 44 10.424 -1.174 -17.634 1.00 0.00 C ATOM 672 CD LYS A 44 9.804 -2.500 -17.189 1.00 0.00 C ATOM 673 CE LYS A 44 9.157 -3.202 -18.383 1.00 0.00 C ATOM 674 NZ LYS A 44 8.594 -4.505 -17.985 1.00 0.00 N ATOM 0 H LYS A 44 12.316 0.660 -14.780 1.00 0.00 H new ATOM 0 HA LYS A 44 12.627 0.512 -17.569 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.800 -1.233 -15.983 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.363 -0.276 -15.682 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.654 -0.514 -18.033 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.144 -1.345 -18.434 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.570 -3.140 -16.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.058 -2.320 -16.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.370 -2.572 -18.797 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.897 -3.346 -19.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.003 -4.878 -18.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.367 -5.172 -17.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.014 -4.386 -17.130 1.00 0.00 H new ATOM 688 N ALA A 45 10.253 2.573 -16.582 1.00 0.00 N ATOM 689 CA ALA A 45 9.299 3.562 -17.063 1.00 0.00 C ATOM 690 C ALA A 45 10.000 4.757 -17.698 1.00 0.00 C ATOM 691 O ALA A 45 9.605 5.184 -18.779 1.00 0.00 O ATOM 692 CB ALA A 45 8.428 4.050 -15.907 1.00 0.00 C ATOM 0 H ALA A 45 10.332 2.525 -15.566 1.00 0.00 H new ATOM 0 HA ALA A 45 8.682 3.082 -17.822 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.717 4.790 -16.274 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.886 3.207 -15.479 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.059 4.502 -15.142 1.00 0.00 H new ATOM 698 N MET A 46 11.033 5.304 -17.045 1.00 0.00 N ATOM 699 CA MET A 46 11.702 6.486 -17.566 1.00 0.00 C ATOM 700 C MET A 46 12.317 6.195 -18.931 1.00 0.00 C ATOM 701 O MET A 46 12.464 7.095 -19.757 1.00 0.00 O ATOM 702 CB MET A 46 12.770 6.948 -16.576 1.00 0.00 C ATOM 703 CG MET A 46 13.425 8.270 -16.983 1.00 0.00 C ATOM 704 SD MET A 46 12.397 9.758 -16.843 1.00 0.00 S ATOM 705 CE MET A 46 11.511 9.771 -18.425 1.00 0.00 C ATOM 0 H MET A 46 11.414 4.948 -16.168 1.00 0.00 H new ATOM 0 HA MET A 46 10.971 7.284 -17.693 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.320 7.059 -15.589 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.537 6.179 -16.491 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.316 8.412 -16.372 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.759 8.182 -18.017 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.150 10.779 -18.632 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.185 9.456 -19.222 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.665 9.086 -18.374 1.00 0.00 H new ATOM 715 N ALA A 47 12.677 4.935 -19.179 1.00 0.00 N ATOM 716 CA ALA A 47 13.231 4.534 -20.454 1.00 0.00 C ATOM 717 C ALA A 47 12.141 4.365 -21.509 1.00 0.00 C ATOM 718 O ALA A 47 12.387 4.616 -22.688 1.00 0.00 O ATOM 719 CB ALA A 47 13.974 3.217 -20.250 1.00 0.00 C ATOM 0 H ALA A 47 12.590 4.177 -18.502 1.00 0.00 H new ATOM 0 HA ALA A 47 13.909 5.308 -20.814 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.403 2.891 -21.197 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.771 3.358 -19.520 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.279 2.460 -19.886 1.00 0.00 H new ATOM 725 N LEU A 48 10.932 3.947 -21.110 1.00 0.00 N ATOM 726 CA LEU A 48 9.825 3.826 -22.049 1.00 0.00 C ATOM 727 C LEU A 48 9.416 5.199 -22.568 1.00 0.00 C ATOM 728 O LEU A 48 8.857 5.297 -23.652 1.00 0.00 O ATOM 729 CB LEU A 48 8.632 3.138 -21.385 1.00 0.00 C ATOM 730 CG LEU A 48 8.892 1.653 -21.134 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.758 1.093 -20.279 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.979 0.852 -22.428 1.00 0.00 C ATOM 0 H LEU A 48 10.703 3.690 -20.150 1.00 0.00 H new ATOM 0 HA LEU A 48 10.154 3.217 -22.891 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.410 3.632 -20.439 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.751 3.250 -22.018 1.00 0.00 H new ATOM 0 HG LEU A 48 9.852 1.564 -20.626 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.932 0.033 -20.093 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.720 1.627 -19.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.811 1.218 -20.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.165 -0.197 -22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.041 0.942 -22.975 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.794 1.237 -23.040 1.00 0.00 H new ATOM 744 N ILE A 49 9.689 6.269 -21.815 1.00 0.00 N ATOM 745 CA ILE A 49 9.446 7.617 -22.308 1.00 0.00 C ATOM 746 C ILE A 49 10.481 7.945 -23.368 1.00 0.00 C ATOM 747 O ILE A 49 10.142 8.436 -24.443 1.00 0.00 O ATOM 748 CB ILE A 49 9.567 8.611 -21.150 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.243 8.766 -20.400 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.991 9.988 -21.657 1.00 0.00 C ATOM 751 CD1 ILE A 49 7.927 7.560 -19.531 1.00 0.00 C ATOM 0 H ILE A 49 10.074 6.224 -20.872 1.00 0.00 H new ATOM 0 HA ILE A 49 8.445 7.682 -22.735 1.00 0.00 H new ATOM 0 HB ILE A 49 10.322 8.211 -20.473 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.284 9.659 -19.777 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.437 8.915 -21.118 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.070 10.677 -20.816 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.958 9.911 -22.155 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.248 10.361 -22.362 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.978 7.719 -19.020 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.858 6.669 -20.156 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.718 7.426 -18.794 1.00 0.00 H new ATOM 763 N LYS A 50 11.749 7.669 -23.062 1.00 0.00 N ATOM 764 CA LYS A 50 12.848 7.855 -23.980 1.00 0.00 C ATOM 765 C LYS A 50 12.713 6.986 -25.233 1.00 0.00 C ATOM 766 O LYS A 50 13.437 7.202 -26.204 1.00 0.00 O ATOM 767 CB LYS A 50 14.117 7.540 -23.204 1.00 0.00 C ATOM 768 CG LYS A 50 15.016 8.767 -23.176 1.00 0.00 C ATOM 769 CD LYS A 50 14.405 9.875 -22.321 1.00 0.00 C ATOM 770 CE LYS A 50 14.514 9.511 -20.844 1.00 0.00 C ATOM 771 NZ LYS A 50 14.389 10.713 -19.998 1.00 0.00 N ATOM 0 H LYS A 50 12.035 7.305 -22.153 1.00 0.00 H new ATOM 0 HA LYS A 50 12.865 8.880 -24.351 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.868 7.236 -22.187 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.640 6.704 -23.667 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.995 8.496 -22.781 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.172 9.131 -24.192 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.918 10.818 -22.511 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.359 10.021 -22.592 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.735 8.794 -20.583 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.471 9.025 -20.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.466 10.442 -18.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.147 11.384 -20.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.465 11.161 -20.165 1.00 0.00 H new ATOM 785 N LEU A 51 11.797 6.005 -25.227 1.00 0.00 N ATOM 786 CA LEU A 51 11.506 5.184 -26.384 1.00 0.00 C ATOM 787 C LEU A 51 10.157 5.615 -26.977 1.00 0.00 C ATOM 788 O LEU A 51 9.860 5.333 -28.136 1.00 0.00 O ATOM 789 CB LEU A 51 11.433 3.729 -25.923 1.00 0.00 C ATOM 790 CG LEU A 51 12.798 3.161 -25.517 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.592 1.794 -24.870 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.705 2.990 -26.734 1.00 0.00 C ATOM 0 H LEU A 51 11.240 5.768 -24.406 1.00 0.00 H new ATOM 0 HA LEU A 51 12.279 5.295 -27.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.749 3.655 -25.078 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.016 3.120 -26.725 1.00 0.00 H new ATOM 0 HG LEU A 51 13.269 3.856 -24.821 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.557 1.381 -24.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.960 1.900 -23.988 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.111 1.123 -25.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.666 2.586 -26.417 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.239 2.305 -27.442 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.858 3.957 -27.212 1.00 0.00 H new ATOM 804 N GLY A 52 9.349 6.301 -26.162 1.00 0.00 N ATOM 805 CA GLY A 52 8.049 6.849 -26.504 1.00 0.00 C ATOM 806 C GLY A 52 6.945 5.807 -26.376 1.00 0.00 C ATOM 807 O GLY A 52 5.837 6.002 -26.874 1.00 0.00 O ATOM 0 H GLY A 52 9.607 6.495 -25.194 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.828 7.695 -25.853 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.072 7.230 -27.525 1.00 0.00 H new ATOM 811 N GLU A 53 7.248 4.692 -25.704 1.00 0.00 N ATOM 812 CA GLU A 53 6.288 3.663 -25.340 1.00 0.00 C ATOM 813 C GLU A 53 5.598 4.046 -24.051 1.00 0.00 C ATOM 814 O GLU A 53 5.286 3.219 -23.200 1.00 0.00 O ATOM 815 CB GLU A 53 6.979 2.305 -25.224 1.00 0.00 C ATOM 816 CG GLU A 53 8.010 2.095 -26.330 1.00 0.00 C ATOM 817 CD GLU A 53 8.356 0.614 -26.478 1.00 0.00 C ATOM 818 OE1 GLU A 53 9.001 0.072 -25.550 1.00 0.00 O ATOM 819 OE2 GLU A 53 7.975 0.034 -27.518 1.00 0.00 O ATOM 0 H GLU A 53 8.196 4.481 -25.393 1.00 0.00 H new ATOM 0 HA GLU A 53 5.532 3.579 -26.121 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.468 2.228 -24.253 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.232 1.512 -25.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.620 2.478 -27.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.913 2.663 -26.104 1.00 0.00 H new ATOM 826 N TYR A 54 5.371 5.347 -23.937 1.00 0.00 N ATOM 827 CA TYR A 54 4.554 5.967 -22.932 1.00 0.00 C ATOM 828 C TYR A 54 3.329 5.124 -22.580 1.00 0.00 C ATOM 829 O TYR A 54 2.996 4.997 -21.409 1.00 0.00 O ATOM 830 CB TYR A 54 4.014 7.205 -23.601 1.00 0.00 C ATOM 831 CG TYR A 54 4.958 8.196 -24.218 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.136 8.572 -23.571 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.639 8.715 -25.480 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.024 9.451 -24.203 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.555 9.544 -26.144 1.00 0.00 C ATOM 836 CZ TYR A 54 6.746 9.928 -25.498 1.00 0.00 C ATOM 837 OH TYR A 54 7.621 10.762 -26.129 1.00 0.00 O ATOM 0 H TYR A 54 5.778 6.024 -24.582 1.00 0.00 H new ATOM 0 HA TYR A 54 5.140 6.128 -22.027 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.329 6.878 -24.384 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.420 7.741 -22.861 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.362 8.187 -22.588 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.691 8.477 -25.940 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.925 9.764 -23.696 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.348 9.887 -27.147 1.00 0.00 H new ATOM 0 HH TYR A 54 7.272 10.993 -27.015 1.00 0.00 H new ATOM 847 N THR A 55 2.652 4.544 -23.581 1.00 0.00 N ATOM 848 CA THR A 55 1.435 3.771 -23.359 1.00 0.00 C ATOM 849 C THR A 55 1.665 2.740 -22.268 1.00 0.00 C ATOM 850 O THR A 55 0.784 2.439 -21.463 1.00 0.00 O ATOM 851 CB THR A 55 1.011 3.064 -24.643 1.00 0.00 C ATOM 852 OG1 THR A 55 1.058 3.954 -25.732 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.413 2.544 -24.467 1.00 0.00 C ATOM 0 H THR A 55 2.935 4.600 -24.559 1.00 0.00 H new ATOM 0 HA THR A 55 0.644 4.455 -23.051 1.00 0.00 H new ATOM 0 HB THR A 55 1.692 2.237 -24.843 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.785 3.486 -26.549 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.730 2.036 -25.378 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.444 1.845 -23.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.083 3.380 -24.266 1.00 0.00 H new ATOM 861 N GLN A 56 2.884 2.213 -22.270 1.00 0.00 N ATOM 862 CA GLN A 56 3.367 1.238 -21.307 1.00 0.00 C ATOM 863 C GLN A 56 3.911 1.931 -20.066 1.00 0.00 C ATOM 864 O GLN A 56 3.676 1.485 -18.947 1.00 0.00 O ATOM 865 CB GLN A 56 4.475 0.421 -21.971 1.00 0.00 C ATOM 866 CG GLN A 56 4.032 -0.165 -23.310 1.00 0.00 C ATOM 867 CD GLN A 56 2.811 -1.053 -23.159 1.00 0.00 C ATOM 868 OE1 GLN A 56 2.920 -2.251 -22.917 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.633 -0.457 -23.304 1.00 0.00 N ATOM 0 H GLN A 56 3.585 2.463 -22.967 1.00 0.00 H new ATOM 0 HA GLN A 56 2.546 0.590 -20.999 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.349 1.054 -22.124 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.778 -0.387 -21.305 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.809 0.644 -24.005 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.850 -0.741 -23.743 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.588 0.542 -23.505 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.773 -0.998 -23.215 1.00 0.00 H new ATOM 878 N ALA A 57 4.639 3.026 -20.259 1.00 0.00 N ATOM 879 CA ALA A 57 5.204 3.814 -19.179 1.00 0.00 C ATOM 880 C ALA A 57 4.142 4.306 -18.200 1.00 0.00 C ATOM 881 O ALA A 57 4.377 4.337 -16.993 1.00 0.00 O ATOM 882 CB ALA A 57 5.902 5.022 -19.792 1.00 0.00 C ATOM 0 H ALA A 57 4.854 3.393 -21.186 1.00 0.00 H new ATOM 0 HA ALA A 57 5.896 3.183 -18.622 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.336 5.632 -19.000 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.691 4.684 -20.464 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.179 5.615 -20.352 1.00 0.00 H new ATOM 888 N ILE A 58 2.973 4.691 -18.719 1.00 0.00 N ATOM 889 CA ILE A 58 1.854 5.172 -17.923 1.00 0.00 C ATOM 890 C ILE A 58 1.433 4.064 -16.968 1.00 0.00 C ATOM 891 O ILE A 58 1.057 4.341 -15.829 1.00 0.00 O ATOM 892 CB ILE A 58 0.708 5.542 -18.876 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.134 6.682 -19.802 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.565 5.963 -18.140 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.374 6.584 -21.128 1.00 0.00 C ATOM 0 H ILE A 58 2.780 4.675 -19.720 1.00 0.00 H new ATOM 0 HA ILE A 58 2.127 6.052 -17.341 1.00 0.00 H new ATOM 0 HB ILE A 58 0.486 4.642 -19.449 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.934 7.643 -19.327 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.208 6.634 -19.983 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.339 6.213 -18.866 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.909 5.143 -17.510 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.355 6.834 -17.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.681 7.398 -21.784 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.597 5.630 -21.605 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.697 6.654 -20.939 1.00 0.00 H new ATOM 907 N GLN A 59 1.499 2.805 -17.426 1.00 0.00 N ATOM 908 CA GLN A 59 1.158 1.664 -16.610 1.00 0.00 C ATOM 909 C GLN A 59 2.233 1.405 -15.559 1.00 0.00 C ATOM 910 O GLN A 59 1.916 1.032 -14.435 1.00 0.00 O ATOM 911 CB GLN A 59 1.020 0.442 -17.510 1.00 0.00 C ATOM 912 CG GLN A 59 0.025 0.639 -18.645 1.00 0.00 C ATOM 913 CD GLN A 59 -1.247 1.302 -18.156 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.905 0.826 -17.236 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.597 2.420 -18.779 1.00 0.00 N ATOM 0 H GLN A 59 1.792 2.565 -18.373 1.00 0.00 H new ATOM 0 HA GLN A 59 0.219 1.864 -16.094 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.996 0.197 -17.930 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.709 -0.411 -16.907 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.478 1.249 -19.426 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.214 -0.326 -19.093 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.021 2.782 -19.539 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.442 2.918 -18.497 1.00 0.00 H new ATOM 924 N MET A 60 3.506 1.600 -15.924 1.00 0.00 N ATOM 925 CA MET A 60 4.619 1.381 -15.008 1.00 0.00 C ATOM 926 C MET A 60 4.589 2.393 -13.867 1.00 0.00 C ATOM 927 O MET A 60 4.773 2.020 -12.712 1.00 0.00 O ATOM 928 CB MET A 60 5.953 1.532 -15.739 1.00 0.00 C ATOM 929 CG MET A 60 6.183 0.570 -16.904 1.00 0.00 C ATOM 930 SD MET A 60 6.075 -1.200 -16.534 1.00 0.00 S ATOM 931 CE MET A 60 4.304 -1.422 -16.817 1.00 0.00 C ATOM 0 H MET A 60 3.786 1.911 -16.854 1.00 0.00 H new ATOM 0 HA MET A 60 4.520 0.371 -14.611 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.027 2.553 -16.115 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.759 1.399 -15.017 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.456 0.799 -17.683 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.170 0.771 -17.321 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.115 -2.438 -17.163 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.762 -1.249 -15.887 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.964 -0.713 -17.572 1.00 0.00 H new ATOM 941 N CYS A 61 4.359 3.671 -14.175 1.00 0.00 N ATOM 942 CA CYS A 61 4.443 4.713 -13.163 1.00 0.00 C ATOM 943 C CYS A 61 3.374 4.477 -12.089 1.00 0.00 C ATOM 944 O CYS A 61 3.664 4.403 -10.896 1.00 0.00 O ATOM 945 CB CYS A 61 4.263 6.073 -13.828 1.00 0.00 C ATOM 946 SG CYS A 61 5.612 6.353 -15.006 1.00 0.00 S ATOM 0 H CYS A 61 4.116 4.002 -15.109 1.00 0.00 H new ATOM 0 HA CYS A 61 5.420 4.688 -12.680 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.303 6.114 -14.342 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.255 6.860 -13.074 1.00 0.00 H new ATOM 0 HG CYS A 61 5.417 5.631 -16.069 1.00 0.00 H new ATOM 952 N GLN A 62 2.117 4.352 -12.511 1.00 0.00 N ATOM 953 CA GLN A 62 1.026 4.069 -11.584 1.00 0.00 C ATOM 954 C GLN A 62 1.137 2.714 -10.874 1.00 0.00 C ATOM 955 O GLN A 62 0.606 2.566 -9.776 1.00 0.00 O ATOM 956 CB GLN A 62 -0.319 4.221 -12.296 1.00 0.00 C ATOM 957 CG GLN A 62 -0.471 3.301 -13.506 1.00 0.00 C ATOM 958 CD GLN A 62 -1.484 2.201 -13.234 1.00 0.00 C ATOM 959 OE1 GLN A 62 -1.077 1.184 -12.486 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.622 2.265 -13.688 1.00 0.00 N flip ATOM 0 H GLN A 62 1.831 4.442 -13.486 1.00 0.00 H new ATOM 0 HA GLN A 62 1.100 4.808 -10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.122 4.014 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.437 5.256 -12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.786 3.883 -14.372 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.494 2.858 -13.753 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.899 3.063 -14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.291 1.520 -13.494 1.00 0.00 H new ATOM 969 N GLN A 63 1.817 1.721 -11.456 1.00 0.00 N ATOM 970 CA GLN A 63 2.135 0.483 -10.742 1.00 0.00 C ATOM 971 C GLN A 63 3.112 0.762 -9.613 1.00 0.00 C ATOM 972 O GLN A 63 2.933 0.250 -8.513 1.00 0.00 O ATOM 973 CB GLN A 63 2.792 -0.509 -11.700 1.00 0.00 C ATOM 974 CG GLN A 63 1.978 -1.787 -11.890 1.00 0.00 C ATOM 975 CD GLN A 63 0.560 -1.524 -12.368 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.371 -1.482 -11.571 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.380 -1.343 -13.670 1.00 0.00 N ATOM 0 H GLN A 63 2.157 1.751 -12.417 1.00 0.00 H new ATOM 0 HA GLN A 63 1.209 0.072 -10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.935 -0.029 -12.668 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.781 -0.768 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.485 -2.430 -12.610 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.942 -2.332 -10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.177 -1.384 -14.306 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.555 -1.162 -14.035 1.00 0.00 H new ATOM 986 N GLY A 64 4.145 1.569 -9.858 1.00 0.00 N ATOM 987 CA GLY A 64 5.099 1.871 -8.810 1.00 0.00 C ATOM 988 C GLY A 64 4.397 2.393 -7.553 1.00 0.00 C ATOM 989 O GLY A 64 4.802 2.080 -6.438 1.00 0.00 O ATOM 0 H GLY A 64 4.334 2.014 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.669 0.975 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.811 2.615 -9.167 1.00 0.00 H new ATOM 993 N LEU A 65 3.339 3.189 -7.734 1.00 0.00 N ATOM 994 CA LEU A 65 2.578 3.801 -6.650 1.00 0.00 C ATOM 995 C LEU A 65 1.894 2.776 -5.740 1.00 0.00 C ATOM 996 O LEU A 65 1.315 3.149 -4.722 1.00 0.00 O ATOM 997 CB LEU A 65 1.495 4.701 -7.249 1.00 0.00 C ATOM 998 CG LEU A 65 2.025 6.059 -7.699 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.885 6.794 -8.400 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.481 6.859 -6.480 1.00 0.00 C ATOM 0 H LEU A 65 2.983 3.429 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 65 3.288 4.363 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.041 4.195 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.707 4.852 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 65 2.872 5.937 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.233 7.771 -8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.552 6.213 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.054 6.923 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.860 7.829 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.638 7.005 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.271 6.315 -5.963 1.00 0.00 H new ATOM 1012 N ARG A 66 1.949 1.485 -6.087 1.00 0.00 N ATOM 1013 CA ARG A 66 1.279 0.426 -5.353 1.00 0.00 C ATOM 1014 C ARG A 66 2.170 -0.039 -4.220 1.00 0.00 C ATOM 1015 O ARG A 66 1.723 -0.672 -3.267 1.00 0.00 O ATOM 1016 CB ARG A 66 1.091 -0.712 -6.346 1.00 0.00 C ATOM 1017 CG ARG A 66 0.147 -0.264 -7.451 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.026 -1.404 -8.448 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.716 -2.550 -7.848 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.410 -3.464 -8.533 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.525 -3.384 -9.855 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.999 -4.467 -7.889 1.00 0.00 N ATOM 0 H ARG A 66 2.469 1.151 -6.898 1.00 0.00 H new ATOM 0 HA ARG A 66 0.330 0.760 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.052 -1.003 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.687 -1.589 -5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.818 0.018 -7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.546 0.618 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.591 -1.050 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.951 -1.719 -8.814 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.663 -2.657 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.080 -2.618 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.058 -4.089 -10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.921 -4.538 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.529 -5.166 -8.409 1.00 0.00 H new ATOM 1036 N TYR A 67 3.449 0.297 -4.360 1.00 0.00 N ATOM 1037 CA TYR A 67 4.506 -0.192 -3.500 1.00 0.00 C ATOM 1038 C TYR A 67 5.271 0.883 -2.721 1.00 0.00 C ATOM 1039 O TYR A 67 6.138 0.535 -1.920 1.00 0.00 O ATOM 1040 CB TYR A 67 5.451 -0.926 -4.438 1.00 0.00 C ATOM 1041 CG TYR A 67 4.725 -1.817 -5.412 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.101 -2.991 -4.971 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.664 -1.444 -6.758 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.450 -3.825 -5.888 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.977 -2.251 -7.672 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.372 -3.452 -7.245 1.00 0.00 C ATOM 1047 OH TYR A 67 2.718 -4.248 -8.135 1.00 0.00 O ATOM 0 H TYR A 67 3.779 0.929 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 67 4.070 -0.812 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.046 -0.199 -4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.146 -1.526 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.122 -3.253 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.145 -0.536 -7.091 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.008 -4.753 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.910 -1.953 -8.708 1.00 0.00 H new ATOM 0 HH TYR A 67 2.758 -3.843 -9.027 1.00 0.00 H new ATOM 1057 N THR A 68 4.976 2.168 -2.932 1.00 0.00 N ATOM 1058 CA THR A 68 5.703 3.270 -2.294 1.00 0.00 C ATOM 1059 C THR A 68 5.304 3.485 -0.831 1.00 0.00 C ATOM 1060 O THR A 68 5.413 4.595 -0.312 1.00 0.00 O ATOM 1061 CB THR A 68 5.513 4.557 -3.100 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.143 4.804 -3.323 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.220 4.432 -4.448 1.00 0.00 C ATOM 0 H THR A 68 4.225 2.475 -3.551 1.00 0.00 H new ATOM 0 HA THR A 68 6.758 2.995 -2.286 1.00 0.00 H new ATOM 0 HB THR A 68 5.938 5.384 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.039 5.631 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.082 5.351 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.284 4.262 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.799 3.594 -5.003 1.00 0.00 H new ATOM 1071 N SER A 69 4.841 2.428 -0.156 1.00 0.00 N ATOM 1072 CA SER A 69 4.387 2.467 1.231 1.00 0.00 C ATOM 1073 C SER A 69 5.488 2.772 2.253 1.00 0.00 C ATOM 1074 O SER A 69 5.232 2.723 3.457 1.00 0.00 O ATOM 1075 CB SER A 69 3.778 1.109 1.574 1.00 0.00 C ATOM 1076 OG SER A 69 2.632 0.880 0.783 1.00 0.00 O ATOM 0 H SER A 69 4.771 1.500 -0.573 1.00 0.00 H new ATOM 0 HA SER A 69 3.669 3.284 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.510 0.320 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.513 1.077 2.631 1.00 0.00 H new ATOM 0 HG SER A 69 2.249 0.007 1.008 1.00 0.00 H new ATOM 1082 N THR A 70 6.702 3.082 1.802 1.00 0.00 N ATOM 1083 CA THR A 70 7.847 3.309 2.679 1.00 0.00 C ATOM 1084 C THR A 70 8.713 4.478 2.199 1.00 0.00 C ATOM 1085 O THR A 70 8.653 4.878 1.037 1.00 0.00 O ATOM 1086 CB THR A 70 8.655 2.014 2.788 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.818 2.231 3.554 1.00 0.00 O ATOM 1088 CG2 THR A 70 9.054 1.491 1.408 1.00 0.00 C ATOM 0 H THR A 70 6.919 3.183 0.811 1.00 0.00 H new ATOM 0 HA THR A 70 7.484 3.589 3.668 1.00 0.00 H new ATOM 0 HB THR A 70 8.024 1.270 3.275 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.327 1.396 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.627 0.570 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.157 1.292 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.663 2.238 0.898 1.00 0.00 H new ATOM 1096 N ALA A 71 9.524 5.031 3.108 1.00 0.00 N ATOM 1097 CA ALA A 71 10.325 6.223 2.862 1.00 0.00 C ATOM 1098 C ALA A 71 11.556 5.962 1.989 1.00 0.00 C ATOM 1099 O ALA A 71 12.189 6.914 1.534 1.00 0.00 O ATOM 1100 CB ALA A 71 10.756 6.816 4.202 1.00 0.00 C ATOM 0 H ALA A 71 9.640 4.653 4.048 1.00 0.00 H new ATOM 0 HA ALA A 71 9.700 6.923 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.356 7.709 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.873 7.080 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.347 6.083 4.751 1.00 0.00 H new ATOM 1106 N GLU A 72 11.918 4.702 1.737 1.00 0.00 N ATOM 1107 CA GLU A 72 12.975 4.394 0.783 1.00 0.00 C ATOM 1108 C GLU A 72 12.451 4.531 -0.644 1.00 0.00 C ATOM 1109 O GLU A 72 13.227 4.466 -1.599 1.00 0.00 O ATOM 1110 CB GLU A 72 13.493 2.979 1.008 1.00 0.00 C ATOM 1111 CG GLU A 72 12.384 1.936 0.936 1.00 0.00 C ATOM 1112 CD GLU A 72 12.905 0.554 1.328 1.00 0.00 C ATOM 1113 OE1 GLU A 72 13.514 -0.104 0.454 1.00 0.00 O ATOM 1114 OE2 GLU A 72 12.689 0.165 2.497 1.00 0.00 O ATOM 0 H GLU A 72 11.495 3.886 2.179 1.00 0.00 H new ATOM 0 HA GLU A 72 13.793 5.099 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.253 2.750 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.978 2.923 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.567 2.222 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.977 1.902 -0.075 1.00 0.00 H new ATOM 1121 N HIS A 73 11.136 4.718 -0.782 1.00 0.00 N ATOM 1122 CA HIS A 73 10.465 4.757 -2.067 1.00 0.00 C ATOM 1123 C HIS A 73 9.801 6.109 -2.314 1.00 0.00 C ATOM 1124 O HIS A 73 9.181 6.313 -3.358 1.00 0.00 O ATOM 1125 CB HIS A 73 9.411 3.654 -2.100 1.00 0.00 C ATOM 1126 CG HIS A 73 9.964 2.253 -2.133 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.204 1.093 -1.975 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.270 1.911 -2.327 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.079 0.077 -2.082 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.323 0.540 -2.297 1.00 0.00 N ATOM 0 H HIS A 73 10.507 4.847 0.010 1.00 0.00 H new ATOM 0 HA HIS A 73 11.206 4.605 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.771 3.756 -1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.779 3.801 -2.976 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.199 1.029 -1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.100 2.586 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.818 -0.968 -2.006 1.00 0.00 H new ATOM 1138 N VAL A 74 9.918 7.038 -1.363 1.00 0.00 N ATOM 1139 CA VAL A 74 9.248 8.326 -1.441 1.00 0.00 C ATOM 1140 C VAL A 74 9.729 9.157 -2.624 1.00 0.00 C ATOM 1141 O VAL A 74 8.961 9.931 -3.195 1.00 0.00 O ATOM 1142 CB VAL A 74 9.486 9.082 -0.137 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.957 9.441 0.070 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.685 10.376 -0.167 1.00 0.00 C ATOM 0 H VAL A 74 10.480 6.914 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 74 8.183 8.149 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 74 9.176 8.430 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.072 9.978 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.554 8.529 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.296 10.073 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.847 10.926 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.009 10.985 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.625 10.145 -0.272 1.00 0.00 H new ATOM 1154 N ALA A 75 10.997 9.003 -2.999 1.00 0.00 N ATOM 1155 CA ALA A 75 11.530 9.745 -4.122 1.00 0.00 C ATOM 1156 C ALA A 75 10.849 9.268 -5.386 1.00 0.00 C ATOM 1157 O ALA A 75 10.588 10.051 -6.292 1.00 0.00 O ATOM 1158 CB ALA A 75 13.029 9.507 -4.241 1.00 0.00 C ATOM 0 H ALA A 75 11.662 8.377 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 75 11.350 10.810 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.421 10.069 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.523 9.837 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.218 8.444 -4.392 1.00 0.00 H new ATOM 1164 N ILE A 76 10.554 7.969 -5.449 1.00 0.00 N ATOM 1165 CA ILE A 76 9.970 7.398 -6.638 1.00 0.00 C ATOM 1166 C ILE A 76 8.486 7.645 -6.707 1.00 0.00 C ATOM 1167 O ILE A 76 7.897 7.701 -7.783 1.00 0.00 O ATOM 1168 CB ILE A 76 10.328 5.927 -6.723 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.796 5.951 -7.094 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.574 5.240 -7.846 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.640 5.634 -5.908 1.00 0.00 C ATOM 0 H ILE A 76 10.713 7.306 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 76 10.387 7.895 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 76 10.093 5.397 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.988 5.229 -7.888 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.062 6.933 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.853 4.187 -7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.502 5.326 -7.670 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.825 5.713 -8.795 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.692 5.656 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.461 6.372 -5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.386 4.642 -5.535 1.00 0.00 H new ATOM 1183 N ARG A 77 7.890 7.801 -5.537 1.00 0.00 N ATOM 1184 CA ARG A 77 6.510 8.230 -5.420 1.00 0.00 C ATOM 1185 C ARG A 77 6.360 9.593 -6.086 1.00 0.00 C ATOM 1186 O ARG A 77 5.260 10.014 -6.437 1.00 0.00 O ATOM 1187 CB ARG A 77 6.106 8.246 -3.946 1.00 0.00 C ATOM 1188 CG ARG A 77 4.661 8.720 -3.834 1.00 0.00 C ATOM 1189 CD ARG A 77 4.623 10.164 -3.338 1.00 0.00 C ATOM 1190 NE ARG A 77 3.243 10.629 -3.143 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.461 11.112 -4.111 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.888 11.197 -5.369 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.229 11.522 -3.815 1.00 0.00 N ATOM 0 H ARG A 77 8.351 7.633 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 77 5.840 7.537 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.210 7.250 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.764 8.907 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.169 8.647 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.110 8.076 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.171 10.242 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.128 10.810 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 77 2.855 10.579 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.830 10.890 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.273 11.569 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.890 11.466 -2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.625 11.892 -4.549 1.00 0.00 H new ATOM 1207 N SER A 78 7.484 10.282 -6.261 1.00 0.00 N ATOM 1208 CA SER A 78 7.552 11.530 -6.993 1.00 0.00 C ATOM 1209 C SER A 78 8.075 11.283 -8.407 1.00 0.00 C ATOM 1210 O SER A 78 7.817 12.085 -9.302 1.00 0.00 O ATOM 1211 CB SER A 78 8.503 12.456 -6.234 1.00 0.00 C ATOM 1212 OG SER A 78 8.465 13.756 -6.783 1.00 0.00 O ATOM 0 H SER A 78 8.384 9.979 -5.890 1.00 0.00 H new ATOM 0 HA SER A 78 6.563 11.980 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.224 12.491 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.519 12.063 -6.282 1.00 0.00 H new ATOM 0 HG SER A 78 9.077 14.339 -6.287 1.00 0.00 H new ATOM 1218 N LYS A 79 8.810 10.180 -8.625 1.00 0.00 N ATOM 1219 CA LYS A 79 9.344 9.912 -9.961 1.00 0.00 C ATOM 1220 C LYS A 79 8.297 9.328 -10.889 1.00 0.00 C ATOM 1221 O LYS A 79 8.232 9.729 -12.041 1.00 0.00 O ATOM 1222 CB LYS A 79 10.559 8.993 -9.886 1.00 0.00 C ATOM 1223 CG LYS A 79 11.737 9.828 -9.407 1.00 0.00 C ATOM 1224 CD LYS A 79 13.032 9.036 -9.447 1.00 0.00 C ATOM 1225 CE LYS A 79 14.118 9.997 -9.007 1.00 0.00 C ATOM 1226 NZ LYS A 79 15.441 9.347 -9.019 1.00 0.00 N ATOM 0 H LYS A 79 9.040 9.483 -7.917 1.00 0.00 H new ATOM 0 HA LYS A 79 9.652 10.871 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.372 8.166 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.770 8.557 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.833 10.716 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.551 10.172 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.982 8.172 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.228 8.657 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.130 10.864 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.899 10.363 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.143 9.981 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.397 8.460 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.718 9.141 -10.000 1.00 0.00 H new ATOM 1240 N LEU A 80 7.479 8.392 -10.416 1.00 0.00 N ATOM 1241 CA LEU A 80 6.473 7.774 -11.265 1.00 0.00 C ATOM 1242 C LEU A 80 5.582 8.859 -11.866 1.00 0.00 C ATOM 1243 O LEU A 80 5.246 8.829 -13.046 1.00 0.00 O ATOM 1244 CB LEU A 80 5.677 6.778 -10.406 1.00 0.00 C ATOM 1245 CG LEU A 80 6.377 5.433 -10.166 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.805 5.353 -10.669 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.259 5.056 -8.691 1.00 0.00 C ATOM 0 H LEU A 80 7.495 8.049 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 80 6.927 7.233 -12.096 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.466 7.239 -9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.717 6.591 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 80 5.855 4.696 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.212 4.365 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.822 5.525 -11.745 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.409 6.111 -10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.756 4.101 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.730 5.826 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.207 4.972 -8.420 1.00 0.00 H new ATOM 1259 N GLN A 81 5.206 9.830 -11.039 1.00 0.00 N ATOM 1260 CA GLN A 81 4.244 10.869 -11.351 1.00 0.00 C ATOM 1261 C GLN A 81 4.787 11.858 -12.370 1.00 0.00 C ATOM 1262 O GLN A 81 4.019 12.550 -13.031 1.00 0.00 O ATOM 1263 CB GLN A 81 3.928 11.567 -10.034 1.00 0.00 C ATOM 1264 CG GLN A 81 2.838 10.796 -9.294 1.00 0.00 C ATOM 1265 CD GLN A 81 3.062 9.293 -9.390 1.00 0.00 C ATOM 1266 OE1 GLN A 81 2.461 8.622 -10.222 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.927 8.741 -8.549 1.00 0.00 N ATOM 0 H GLN A 81 5.582 9.913 -10.095 1.00 0.00 H new ATOM 0 HA GLN A 81 3.350 10.438 -11.801 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.826 11.628 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.600 12.589 -10.222 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.823 11.098 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.863 11.048 -9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.415 9.320 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.104 7.737 -8.586 1.00 0.00 H new ATOM 1276 N TYR A 82 6.111 11.919 -12.495 1.00 0.00 N ATOM 1277 CA TYR A 82 6.746 12.842 -13.415 1.00 0.00 C ATOM 1278 C TYR A 82 6.689 12.364 -14.864 1.00 0.00 C ATOM 1279 O TYR A 82 6.661 13.187 -15.776 1.00 0.00 O ATOM 1280 CB TYR A 82 8.194 13.026 -12.992 1.00 0.00 C ATOM 1281 CG TYR A 82 9.071 13.639 -14.056 1.00 0.00 C ATOM 1282 CD1 TYR A 82 9.484 12.856 -15.143 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.474 14.975 -13.955 1.00 0.00 C ATOM 1284 CE1 TYR A 82 10.381 13.379 -16.085 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.362 15.513 -14.900 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.828 14.711 -15.962 1.00 0.00 C ATOM 1287 OH TYR A 82 11.707 15.229 -16.866 1.00 0.00 O ATOM 0 H TYR A 82 6.761 11.336 -11.967 1.00 0.00 H new ATOM 0 HA TYR A 82 6.202 13.786 -13.374 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.225 13.656 -12.103 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.606 12.057 -12.710 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.111 11.849 -15.255 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.102 15.592 -13.150 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.728 12.764 -16.902 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.688 16.539 -14.814 1.00 0.00 H new ATOM 0 HH TYR A 82 11.907 16.159 -16.631 1.00 0.00 H new ATOM 1297 N ARG A 83 6.669 11.049 -15.109 1.00 0.00 N ATOM 1298 CA ARG A 83 6.561 10.557 -16.476 1.00 0.00 C ATOM 1299 C ARG A 83 5.118 10.170 -16.734 1.00 0.00 C ATOM 1300 O ARG A 83 4.680 10.104 -17.877 1.00 0.00 O ATOM 1301 CB ARG A 83 7.444 9.350 -16.762 1.00 0.00 C ATOM 1302 CG ARG A 83 8.860 9.340 -16.205 1.00 0.00 C ATOM 1303 CD ARG A 83 8.870 9.081 -14.701 1.00 0.00 C ATOM 1304 NE ARG A 83 10.259 8.932 -14.250 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.694 7.971 -13.434 1.00 0.00 C ATOM 1306 NH1 ARG A 83 9.859 7.054 -12.958 1.00 0.00 N ATOM 1307 NH2 ARG A 83 11.977 7.926 -13.088 1.00 0.00 N ATOM 0 H ARG A 83 6.725 10.325 -14.393 1.00 0.00 H new ATOM 0 HA ARG A 83 6.898 11.360 -17.132 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.932 8.466 -16.382 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.512 9.238 -17.844 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.445 8.572 -16.711 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.340 10.296 -16.413 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.390 9.905 -14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.301 8.180 -14.470 1.00 0.00 H new ATOM 0 HE ARG A 83 10.941 9.613 -14.585 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.872 7.080 -13.216 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.204 6.324 -12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.627 8.626 -13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.311 7.192 -12.464 1.00 0.00 H new ATOM 1321 N LEU A 84 4.391 9.921 -15.649 1.00 0.00 N ATOM 1322 CA LEU A 84 2.976 9.636 -15.699 1.00 0.00 C ATOM 1323 C LEU A 84 2.233 10.882 -16.170 1.00 0.00 C ATOM 1324 O LEU A 84 1.104 10.792 -16.641 1.00 0.00 O ATOM 1325 CB LEU A 84 2.547 9.215 -14.298 1.00 0.00 C ATOM 1326 CG LEU A 84 1.047 8.956 -14.173 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.603 7.840 -15.123 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.764 8.582 -12.722 1.00 0.00 C ATOM 0 H LEU A 84 4.779 9.913 -14.706 1.00 0.00 H new ATOM 0 HA LEU A 84 2.746 8.834 -16.400 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.088 8.312 -14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.834 9.992 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 84 0.485 9.848 -14.450 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.469 7.675 -15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.824 8.128 -16.151 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.138 6.922 -14.881 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.302 8.390 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.327 7.686 -12.461 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.064 9.402 -12.070 1.00 0.00 H new ATOM 1340 N GLU A 85 2.870 12.049 -16.043 1.00 0.00 N ATOM 1341 CA GLU A 85 2.284 13.307 -16.482 1.00 0.00 C ATOM 1342 C GLU A 85 2.704 13.672 -17.906 1.00 0.00 C ATOM 1343 O GLU A 85 2.130 14.586 -18.494 1.00 0.00 O ATOM 1344 CB GLU A 85 2.658 14.415 -15.494 1.00 0.00 C ATOM 1345 CG GLU A 85 3.960 15.117 -15.867 1.00 0.00 C ATOM 1346 CD GLU A 85 4.262 16.267 -14.906 1.00 0.00 C ATOM 1347 OE1 GLU A 85 4.903 16.001 -13.868 1.00 0.00 O ATOM 1348 OE2 GLU A 85 3.848 17.406 -15.222 1.00 0.00 O ATOM 0 H GLU A 85 3.800 12.143 -15.635 1.00 0.00 H new ATOM 0 HA GLU A 85 1.200 13.191 -16.500 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.853 15.148 -15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.752 13.990 -14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.781 14.400 -15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.892 15.499 -16.886 1.00 0.00 H new ATOM 1355 N LEU A 86 3.697 12.966 -18.462 1.00 0.00 N ATOM 1356 CA LEU A 86 4.233 13.323 -19.770 1.00 0.00 C ATOM 1357 C LEU A 86 3.922 12.264 -20.826 1.00 0.00 C ATOM 1358 O LEU A 86 3.572 12.607 -21.956 1.00 0.00 O ATOM 1359 CB LEU A 86 5.745 13.575 -19.633 1.00 0.00 C ATOM 1360 CG LEU A 86 6.621 12.325 -19.811 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.934 12.100 -21.297 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.929 12.468 -19.037 1.00 0.00 C ATOM 0 H LEU A 86 4.137 12.155 -18.028 1.00 0.00 H new ATOM 0 HA LEU A 86 3.748 14.235 -20.117 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.044 14.320 -20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.941 14.003 -18.650 1.00 0.00 H new ATOM 0 HG LEU A 86 6.069 11.469 -19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.555 11.211 -21.407 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.004 11.963 -21.848 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.466 12.966 -21.692 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.534 11.572 -19.177 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.476 13.336 -19.404 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.712 12.598 -17.977 1.00 0.00 H new ATOM 1374 N ALA A 87 4.040 10.982 -20.467 1.00 0.00 N ATOM 1375 CA ALA A 87 3.843 9.855 -21.337 1.00 0.00 C ATOM 1376 C ALA A 87 2.436 9.905 -21.921 1.00 0.00 C ATOM 1377 O ALA A 87 2.286 10.019 -23.131 1.00 0.00 O ATOM 1378 CB ALA A 87 4.055 8.606 -20.475 1.00 0.00 C ATOM 0 H ALA A 87 4.287 10.706 -19.516 1.00 0.00 H new ATOM 0 HA ALA A 87 4.537 9.853 -22.178 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.917 7.714 -21.086 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.065 8.613 -20.066 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.333 8.601 -19.658 1.00 0.00 H new ATOM 1384 N GLN A 88 1.402 9.822 -21.080 1.00 0.00 N ATOM 1385 CA GLN A 88 0.029 9.857 -21.564 1.00 0.00 C ATOM 1386 C GLN A 88 -0.298 11.151 -22.297 1.00 0.00 C ATOM 1387 O GLN A 88 -1.234 11.193 -23.092 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.960 9.630 -20.433 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.794 10.566 -19.241 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.843 10.231 -18.186 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -3.042 10.322 -18.437 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.402 9.837 -16.998 1.00 0.00 N ATOM 0 H GLN A 88 1.493 9.731 -20.068 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.064 9.042 -22.282 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.971 9.740 -20.826 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.863 8.601 -20.086 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.206 10.464 -18.821 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.901 11.603 -19.560 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.399 9.772 -16.822 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.066 9.599 -16.261 1.00 0.00 H new ATOM 1401 N GLY A 89 0.475 12.202 -22.034 1.00 0.00 N ATOM 1402 CA GLY A 89 0.317 13.483 -22.691 1.00 0.00 C ATOM 1403 C GLY A 89 1.024 13.474 -24.049 1.00 0.00 C ATOM 1404 O GLY A 89 1.115 14.506 -24.711 1.00 0.00 O ATOM 0 H GLY A 89 1.233 12.181 -21.352 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.742 13.702 -22.826 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.729 14.274 -22.064 1.00 0.00 H new ATOM 1408 N ALA A 90 1.516 12.296 -24.446 1.00 0.00 N ATOM 1409 CA ALA A 90 2.156 12.048 -25.725 1.00 0.00 C ATOM 1410 C ALA A 90 1.596 10.762 -26.356 1.00 0.00 C ATOM 1411 O ALA A 90 2.065 10.329 -27.406 1.00 0.00 O ATOM 1412 CB ALA A 90 3.662 11.951 -25.498 1.00 0.00 C ATOM 0 H ALA A 90 1.474 11.464 -23.858 1.00 0.00 H new ATOM 0 HA ALA A 90 1.952 12.864 -26.419 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.162 11.765 -26.448 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.027 12.886 -25.073 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.874 11.133 -24.810 1.00 0.00 H new ATOM 1833 N VAL B 708 17.655 8.111 -13.143 1.00 0.00 N ATOM 1834 CA VAL B 708 17.068 6.783 -12.965 1.00 0.00 C ATOM 1835 C VAL B 708 16.687 6.564 -11.497 1.00 0.00 C ATOM 1836 O VAL B 708 16.692 7.520 -10.721 1.00 0.00 O ATOM 1837 CB VAL B 708 17.986 5.693 -13.527 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.650 6.165 -14.811 1.00 0.00 C ATOM 1839 CG2 VAL B 708 19.068 5.256 -12.551 1.00 0.00 C ATOM 0 HA VAL B 708 16.145 6.717 -13.541 1.00 0.00 H new ATOM 0 HB VAL B 708 17.344 4.833 -13.719 1.00 0.00 H new ATOM 0 HG11 VAL B 708 19.298 5.378 -15.196 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.885 6.399 -15.551 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.243 7.057 -14.607 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.683 4.483 -13.012 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.693 6.111 -12.294 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.605 4.861 -11.647 1.00 0.00 H new ATOM 1849 N ASP B 709 16.361 5.320 -11.122 1.00 0.00 N ATOM 1850 CA ASP B 709 15.768 4.957 -9.836 1.00 0.00 C ATOM 1851 C ASP B 709 14.777 6.017 -9.340 1.00 0.00 C ATOM 1852 O ASP B 709 13.715 6.129 -9.991 1.00 0.00 O ATOM 1853 CB ASP B 709 16.804 4.577 -8.766 1.00 0.00 C ATOM 1854 CG ASP B 709 18.029 5.495 -8.686 1.00 0.00 C ATOM 1855 OD1 ASP B 709 17.948 6.533 -7.984 1.00 0.00 O ATOM 1856 OD2 ASP B 709 19.050 5.155 -9.326 1.00 0.00 O ATOM 1857 OXT ASP B 709 15.076 6.698 -8.337 1.00 0.00 O ATOM 0 H ASP B 709 16.509 4.514 -11.729 1.00 0.00 H new ATOM 0 HA ASP B 709 15.198 4.046 -10.020 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.312 4.570 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP B 709 17.145 3.560 -8.959 1.00 0.00 H new