USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 519 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 45 ASN :FLIP amide:sc= -1.58 F(o=-0.45,f=0.63) USER MOD Set 1.2: A 54 HIS : no HD1:sc= 0.713 K(o=0.63,f=-4.4!) USER MOD Set 1.3: A 55 THR OG1 : rot 139:sc= 1.5 USER MOD Set 2.1: A 1 SER N :NH3+ -159:sc= -2.27 (180deg=-2.66!) USER MOD Set 2.2: A 1 SER OG : rot 112:sc= 0.264 USER MOD Set 2.3: A 37 THR OG1 : rot 180:sc= 1.15 USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= -0.0803 USER MOD Set 3.2: A 27 HIS : no HD1:sc= -0.258 X(o=-2.1,f=-1.9) USER MOD Set 3.3: A 28 GLN : amide:sc= -1.79! C(o=-2.1!,f=-6.9!) USER MOD Set 4.1: A 7 SER OG : rot -46:sc= 0.892 USER MOD Set 4.2: A 13 ASN : amide:sc= -7.12! C(o=-6.2!,f=-17!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.501 F(o=-1,f=-0.5) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 119:sc= 0.386 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0231 (180deg=-0.359) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00186 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.818 K(o=-0.82,f=-1.5) USER MOD Single : A 50 SER OG : rot -104:sc= 0.93 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.193 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.023 F(o=-1.9,f=-0.023) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0363 (180deg=-0.349) USER MOD Single : A 71 SER OG : rot -94:sc= 0.124 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.332 F(o=-2.4,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.568 -5.503 -0.593 1.00 0.00 N ATOM 2 CA SER A 1 -9.082 -4.642 0.522 1.00 0.00 C ATOM 3 C SER A 1 -7.704 -5.142 0.989 1.00 0.00 C ATOM 4 O SER A 1 -7.549 -5.633 2.093 1.00 0.00 O ATOM 5 CB SER A 1 -10.105 -4.698 1.666 1.00 0.00 C ATOM 6 OG SER A 1 -11.283 -4.191 1.056 1.00 0.00 O ATOM 0 H1 SER A 1 -10.289 -4.990 -1.139 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.772 -5.747 -1.216 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.983 -6.374 -0.204 1.00 0.00 H new ATOM 0 HA SER A 1 -8.976 -3.609 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.245 -5.714 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.795 -4.090 2.516 1.00 0.00 H new ATOM 0 HG SER A 1 -11.945 -4.909 0.977 1.00 0.00 H new ATOM 11 N ALA A 2 -6.732 -5.001 0.118 1.00 0.00 N ATOM 12 CA ALA A 2 -5.341 -5.449 0.450 1.00 0.00 C ATOM 13 C ALA A 2 -4.290 -4.795 -0.456 1.00 0.00 C ATOM 14 O ALA A 2 -4.350 -4.941 -1.662 1.00 0.00 O ATOM 15 CB ALA A 2 -5.258 -6.978 0.298 1.00 0.00 C ATOM 0 H ALA A 2 -6.843 -4.594 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.128 -5.147 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.249 -7.313 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.968 -7.450 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.498 -7.255 -0.728 1.00 0.00 H new ATOM 21 N PHE A 3 -3.364 -4.094 0.157 1.00 0.00 N ATOM 22 CA PHE A 3 -2.280 -3.409 -0.608 1.00 0.00 C ATOM 23 C PHE A 3 -1.026 -4.300 -0.705 1.00 0.00 C ATOM 24 O PHE A 3 -0.272 -4.418 0.242 1.00 0.00 O ATOM 25 CB PHE A 3 -1.965 -2.098 0.114 1.00 0.00 C ATOM 26 CG PHE A 3 -0.906 -1.281 -0.650 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.237 -0.684 -1.849 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.377 -1.119 -0.151 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.312 0.062 -2.541 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.302 -0.370 -0.848 1.00 0.00 C ATOM 31 CZ PHE A 3 0.961 0.221 -2.042 1.00 0.00 C ATOM 0 H PHE A 3 -3.316 -3.968 1.168 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.605 -3.210 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.876 -1.509 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.606 -2.312 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.233 -0.804 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.653 -1.580 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.585 0.524 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.300 -0.247 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.688 0.807 -2.585 1.00 0.00 H new ATOM 41 N THR A 4 -0.848 -4.902 -1.855 1.00 0.00 N ATOM 42 CA THR A 4 0.331 -5.793 -2.091 1.00 0.00 C ATOM 43 C THR A 4 1.473 -4.933 -2.658 1.00 0.00 C ATOM 44 O THR A 4 1.227 -3.888 -3.227 1.00 0.00 O ATOM 45 CB THR A 4 -0.076 -6.895 -3.086 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.151 -7.567 -2.443 1.00 0.00 O ATOM 47 CG2 THR A 4 1.018 -7.973 -3.230 1.00 0.00 C ATOM 0 H THR A 4 -1.479 -4.813 -2.652 1.00 0.00 H new ATOM 0 HA THR A 4 0.665 -6.266 -1.167 1.00 0.00 H new ATOM 0 HB THR A 4 -0.287 -6.453 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.474 -8.292 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.690 -8.731 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.938 -7.512 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.200 -8.439 -2.261 1.00 0.00 H new ATOM 55 N VAL A 5 2.685 -5.400 -2.484 1.00 0.00 N ATOM 56 CA VAL A 5 3.896 -4.664 -2.983 1.00 0.00 C ATOM 57 C VAL A 5 5.034 -5.663 -3.293 1.00 0.00 C ATOM 58 O VAL A 5 5.232 -6.591 -2.535 1.00 0.00 O ATOM 59 CB VAL A 5 4.396 -3.660 -1.894 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.298 -2.656 -1.530 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.770 -4.390 -0.584 1.00 0.00 C ATOM 0 H VAL A 5 2.893 -6.278 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 5 3.622 -4.124 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 5 5.265 -3.158 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.671 -1.969 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.010 -2.094 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.431 -3.190 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.114 -3.663 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.896 -4.913 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.565 -5.109 -0.782 1.00 0.00 H new ATOM 71 N TRP A 6 5.746 -5.471 -4.379 1.00 0.00 N ATOM 72 CA TRP A 6 6.867 -6.372 -4.753 1.00 0.00 C ATOM 73 C TRP A 6 8.161 -5.557 -4.537 1.00 0.00 C ATOM 74 O TRP A 6 8.143 -4.348 -4.669 1.00 0.00 O ATOM 75 CB TRP A 6 6.681 -6.764 -6.209 1.00 0.00 C ATOM 76 CG TRP A 6 5.486 -7.704 -6.394 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.582 -9.062 -6.498 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.171 -7.359 -6.494 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.348 -9.467 -6.651 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.429 -8.527 -6.664 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.521 -6.129 -6.460 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.047 -8.468 -6.798 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.140 -6.071 -6.597 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.403 -7.239 -6.766 1.00 0.00 C ATOM 0 H TRP A 6 5.587 -4.705 -5.034 1.00 0.00 H new ATOM 0 HA TRP A 6 6.908 -7.286 -4.161 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.536 -5.867 -6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.586 -7.250 -6.574 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.476 -9.666 -6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.112 -10.454 -6.754 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.090 -5.221 -6.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.476 -9.376 -6.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.636 -5.116 -6.572 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.329 -7.189 -6.872 1.00 0.00 H new ATOM 95 N SER A 7 9.243 -6.227 -4.218 1.00 0.00 N ATOM 96 CA SER A 7 10.549 -5.518 -3.980 1.00 0.00 C ATOM 97 C SER A 7 11.086 -4.744 -5.196 1.00 0.00 C ATOM 98 O SER A 7 11.624 -3.665 -5.033 1.00 0.00 O ATOM 99 CB SER A 7 11.611 -6.549 -3.530 1.00 0.00 C ATOM 100 OG SER A 7 11.807 -7.416 -4.639 1.00 0.00 O ATOM 0 H SER A 7 9.281 -7.241 -4.111 1.00 0.00 H new ATOM 0 HA SER A 7 10.352 -4.774 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.542 -6.055 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.271 -7.104 -2.656 1.00 0.00 H new ATOM 0 HG SER A 7 10.937 -7.684 -5.003 1.00 0.00 H new ATOM 106 N GLY A 8 10.929 -5.310 -6.366 1.00 0.00 N ATOM 107 CA GLY A 8 11.414 -4.643 -7.616 1.00 0.00 C ATOM 108 C GLY A 8 11.673 -5.669 -8.730 1.00 0.00 C ATOM 109 O GLY A 8 11.957 -6.814 -8.433 1.00 0.00 O ATOM 0 H GLY A 8 10.481 -6.215 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.676 -3.915 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.331 -4.092 -7.405 1.00 0.00 H new ATOM 113 N PRO A 9 11.582 -5.256 -9.977 1.00 0.00 N ATOM 114 CA PRO A 9 11.406 -3.838 -10.427 1.00 0.00 C ATOM 115 C PRO A 9 9.944 -3.408 -10.246 1.00 0.00 C ATOM 116 O PRO A 9 9.651 -2.438 -9.573 1.00 0.00 O ATOM 117 CB PRO A 9 11.850 -3.823 -11.887 1.00 0.00 C ATOM 118 CG PRO A 9 11.828 -5.290 -12.368 1.00 0.00 C ATOM 119 CD PRO A 9 11.641 -6.197 -11.134 1.00 0.00 C ATOM 0 HA PRO A 9 11.994 -3.128 -9.845 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.182 -3.207 -12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.849 -3.398 -11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.018 -5.445 -13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.757 -5.535 -12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.728 -6.787 -11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.467 -6.900 -11.031 1.00 0.00 H new ATOM 127 N GLY A 10 9.083 -4.167 -10.871 1.00 0.00 N ATOM 128 CA GLY A 10 7.616 -3.909 -10.811 1.00 0.00 C ATOM 129 C GLY A 10 7.023 -5.042 -9.981 1.00 0.00 C ATOM 130 O GLY A 10 7.530 -5.354 -8.921 1.00 0.00 O ATOM 0 H GLY A 10 9.344 -4.976 -11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.409 -2.941 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.182 -3.889 -11.811 1.00 0.00 H new ATOM 134 N CYS A 11 5.967 -5.619 -10.490 1.00 0.00 N ATOM 135 CA CYS A 11 5.286 -6.745 -9.786 1.00 0.00 C ATOM 136 C CYS A 11 5.854 -8.033 -10.406 1.00 0.00 C ATOM 137 O CYS A 11 5.121 -8.878 -10.884 1.00 0.00 O ATOM 138 CB CYS A 11 3.783 -6.645 -10.038 1.00 0.00 C ATOM 139 SG CYS A 11 2.899 -5.116 -9.644 1.00 0.00 S ATOM 0 H CYS A 11 5.541 -5.353 -11.378 1.00 0.00 H new ATOM 0 HA CYS A 11 5.450 -6.727 -8.709 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.617 -6.852 -11.095 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.306 -7.449 -9.477 1.00 0.00 H new ATOM 144 N ASN A 12 7.161 -8.143 -10.378 1.00 0.00 N ATOM 145 CA ASN A 12 7.831 -9.349 -10.962 1.00 0.00 C ATOM 146 C ASN A 12 8.987 -9.794 -10.061 1.00 0.00 C ATOM 147 O ASN A 12 10.136 -9.762 -10.459 1.00 0.00 O ATOM 148 CB ASN A 12 8.343 -8.967 -12.369 1.00 0.00 C ATOM 149 CG ASN A 12 7.208 -8.340 -13.193 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.978 -7.062 -13.056 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 6.530 -8.999 -13.957 1.00 0.00 N flip ATOM 0 H ASN A 12 7.793 -7.450 -9.976 1.00 0.00 H new ATOM 0 HA ASN A 12 7.132 -10.182 -11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.172 -8.264 -12.284 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.726 -9.852 -12.878 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.708 -9.997 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.783 -8.553 -14.490 1.00 0.00 H new ATOM 158 N ASN A 13 8.638 -10.202 -8.865 1.00 0.00 N ATOM 159 CA ASN A 13 9.647 -10.661 -7.867 1.00 0.00 C ATOM 160 C ASN A 13 8.933 -11.114 -6.572 1.00 0.00 C ATOM 161 O ASN A 13 7.811 -11.579 -6.627 1.00 0.00 O ATOM 162 CB ASN A 13 10.618 -9.478 -7.602 1.00 0.00 C ATOM 163 CG ASN A 13 9.788 -8.273 -7.147 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.666 -8.045 -5.965 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.203 -7.488 -8.018 1.00 0.00 N ATOM 0 H ASN A 13 7.674 -10.236 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 13 10.212 -11.516 -8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.347 -9.748 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.178 -9.235 -8.505 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.651 -6.693 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.300 -7.672 -9.017 1.00 0.00 H new ATOM 172 N ARG A 14 9.600 -10.972 -5.451 1.00 0.00 N ATOM 173 CA ARG A 14 9.012 -11.369 -4.129 1.00 0.00 C ATOM 174 C ARG A 14 7.919 -10.350 -3.758 1.00 0.00 C ATOM 175 O ARG A 14 7.814 -9.331 -4.412 1.00 0.00 O ATOM 176 CB ARG A 14 10.144 -11.377 -3.073 1.00 0.00 C ATOM 177 CG ARG A 14 10.786 -9.970 -2.958 1.00 0.00 C ATOM 178 CD ARG A 14 11.982 -10.005 -1.993 1.00 0.00 C ATOM 179 NE ARG A 14 13.036 -10.895 -2.573 1.00 0.00 N ATOM 180 CZ ARG A 14 14.245 -10.947 -2.068 1.00 0.00 C ATOM 181 NH1 ARG A 14 14.566 -10.219 -1.033 1.00 0.00 N ATOM 182 NH2 ARG A 14 15.109 -11.745 -2.631 1.00 0.00 N ATOM 0 H ARG A 14 10.544 -10.591 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 14 8.566 -12.363 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.745 -11.682 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.903 -12.109 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.113 -9.631 -3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.045 -9.253 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.376 -9.000 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.670 -10.375 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 14 12.808 -11.475 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.873 -9.602 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.509 -10.267 -0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.836 -12.304 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.058 -11.810 -2.264 1.00 0.00 H new ATOM 196 N ALA A 15 7.138 -10.628 -2.741 1.00 0.00 N ATOM 197 CA ALA A 15 6.059 -9.661 -2.352 1.00 0.00 C ATOM 198 C ALA A 15 5.757 -9.604 -0.849 1.00 0.00 C ATOM 199 O ALA A 15 6.272 -10.371 -0.058 1.00 0.00 O ATOM 200 CB ALA A 15 4.776 -10.038 -3.113 1.00 0.00 C ATOM 0 H ALA A 15 7.198 -11.471 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 15 6.422 -8.668 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.977 -9.347 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.959 -9.982 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.481 -11.053 -2.848 1.00 0.00 H new ATOM 206 N GLU A 16 4.907 -8.659 -0.532 1.00 0.00 N ATOM 207 CA GLU A 16 4.453 -8.401 0.867 1.00 0.00 C ATOM 208 C GLU A 16 3.037 -7.813 0.782 1.00 0.00 C ATOM 209 O GLU A 16 2.759 -7.014 -0.090 1.00 0.00 O ATOM 210 CB GLU A 16 5.426 -7.402 1.532 1.00 0.00 C ATOM 211 CG GLU A 16 4.975 -7.042 2.969 1.00 0.00 C ATOM 212 CD GLU A 16 4.835 -8.309 3.832 1.00 0.00 C ATOM 213 OE1 GLU A 16 5.867 -8.909 4.092 1.00 0.00 O ATOM 214 OE2 GLU A 16 3.703 -8.606 4.181 1.00 0.00 O ATOM 0 H GLU A 16 4.492 -8.029 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 16 4.441 -9.312 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.427 -7.832 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.486 -6.495 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.699 -6.365 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.022 -6.513 2.934 1.00 0.00 H new ATOM 221 N ARG A 17 2.187 -8.226 1.687 1.00 0.00 N ATOM 222 CA ARG A 17 0.775 -7.728 1.706 1.00 0.00 C ATOM 223 C ARG A 17 0.519 -6.830 2.922 1.00 0.00 C ATOM 224 O ARG A 17 1.161 -6.953 3.947 1.00 0.00 O ATOM 225 CB ARG A 17 -0.166 -8.950 1.735 1.00 0.00 C ATOM 226 CG ARG A 17 -1.650 -8.501 1.615 1.00 0.00 C ATOM 227 CD ARG A 17 -2.571 -9.731 1.658 1.00 0.00 C ATOM 228 NE ARG A 17 -2.260 -10.609 0.488 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.774 -11.810 0.380 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.577 -12.276 1.300 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.459 -12.517 -0.670 1.00 0.00 N ATOM 0 H ARG A 17 2.412 -8.895 2.423 1.00 0.00 H new ATOM 0 HA ARG A 17 0.590 -7.127 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.082 -9.626 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.022 -9.505 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.900 -7.819 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.800 -7.955 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.426 -10.278 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.616 -9.421 1.630 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.635 -10.266 -0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.809 -11.704 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.972 -13.212 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.831 -12.131 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.841 -13.456 -0.786 1.00 0.00 H new ATOM 245 N TYR A 18 -0.431 -5.949 2.736 1.00 0.00 N ATOM 246 CA TYR A 18 -0.848 -4.980 3.791 1.00 0.00 C ATOM 247 C TYR A 18 -2.378 -4.902 3.718 1.00 0.00 C ATOM 248 O TYR A 18 -2.953 -3.952 3.223 1.00 0.00 O ATOM 249 CB TYR A 18 -0.192 -3.608 3.500 1.00 0.00 C ATOM 250 CG TYR A 18 1.329 -3.728 3.690 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.855 -3.872 4.959 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.192 -3.694 2.611 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.216 -3.980 5.151 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.552 -3.801 2.808 1.00 0.00 C ATOM 255 CZ TYR A 18 4.073 -3.945 4.074 1.00 0.00 C ATOM 256 OH TYR A 18 5.437 -4.049 4.258 1.00 0.00 O ATOM 0 H TYR A 18 -0.952 -5.860 1.864 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.536 -5.285 4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.420 -3.290 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.596 -2.848 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.192 -3.900 5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.800 -3.583 1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.611 -4.092 6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.218 -3.771 1.958 1.00 0.00 H new ATOM 0 HH TYR A 18 5.889 -4.006 3.389 1.00 0.00 H new ATOM 266 N SER A 19 -2.976 -5.950 4.230 1.00 0.00 N ATOM 267 CA SER A 19 -4.467 -6.084 4.261 1.00 0.00 C ATOM 268 C SER A 19 -5.039 -5.864 5.667 1.00 0.00 C ATOM 269 O SER A 19 -6.209 -5.563 5.806 1.00 0.00 O ATOM 270 CB SER A 19 -4.835 -7.490 3.761 1.00 0.00 C ATOM 271 OG SER A 19 -4.177 -8.379 4.653 1.00 0.00 O ATOM 0 H SER A 19 -2.478 -6.741 4.639 1.00 0.00 H new ATOM 0 HA SER A 19 -4.899 -5.316 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.914 -7.644 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.503 -7.643 2.734 1.00 0.00 H new ATOM 0 HG SER A 19 -4.370 -9.304 4.394 1.00 0.00 H new ATOM 277 N LYS A 20 -4.205 -6.021 6.668 1.00 0.00 N ATOM 278 CA LYS A 20 -4.657 -5.830 8.075 1.00 0.00 C ATOM 279 C LYS A 20 -5.115 -4.383 8.296 1.00 0.00 C ATOM 280 O LYS A 20 -4.457 -3.452 7.874 1.00 0.00 O ATOM 281 CB LYS A 20 -3.491 -6.175 9.011 1.00 0.00 C ATOM 282 CG LYS A 20 -3.144 -7.678 8.890 1.00 0.00 C ATOM 283 CD LYS A 20 -2.071 -8.039 9.938 1.00 0.00 C ATOM 284 CE LYS A 20 -1.726 -9.535 9.824 1.00 0.00 C ATOM 285 NZ LYS A 20 -0.720 -9.905 10.859 1.00 0.00 N ATOM 0 H LYS A 20 -3.223 -6.276 6.565 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.503 -6.484 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.620 -5.570 8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.757 -5.936 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.038 -8.283 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.778 -7.899 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.177 -7.436 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.436 -7.814 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.627 -10.135 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.334 -9.752 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.492 -10.916 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.144 -9.343 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.109 -9.714 11.805 1.00 0.00 H new ATOM 299 N CYS A 21 -6.239 -4.257 8.957 1.00 0.00 N ATOM 300 CA CYS A 21 -6.824 -2.913 9.254 1.00 0.00 C ATOM 301 C CYS A 21 -5.852 -2.084 10.108 1.00 0.00 C ATOM 302 O CYS A 21 -5.650 -2.386 11.270 1.00 0.00 O ATOM 303 CB CYS A 21 -8.151 -3.110 10.005 1.00 0.00 C ATOM 304 SG CYS A 21 -9.291 -1.706 10.074 1.00 0.00 S ATOM 0 H CYS A 21 -6.785 -5.043 9.309 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.001 -2.376 8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.676 -3.947 9.545 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.918 -3.404 11.028 1.00 0.00 H new ATOM 309 N GLY A 22 -5.276 -1.071 9.510 1.00 0.00 N ATOM 310 CA GLY A 22 -4.313 -0.207 10.265 1.00 0.00 C ATOM 311 C GLY A 22 -3.227 0.394 9.369 1.00 0.00 C ATOM 312 O GLY A 22 -3.046 -0.013 8.238 1.00 0.00 O ATOM 0 H GLY A 22 -5.429 -0.805 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.861 0.598 10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.843 -0.797 11.052 1.00 0.00 H new ATOM 316 N CYS A 23 -2.545 1.355 9.943 1.00 0.00 N ATOM 317 CA CYS A 23 -1.435 2.091 9.258 1.00 0.00 C ATOM 318 C CYS A 23 -0.150 1.236 9.274 1.00 0.00 C ATOM 319 O CYS A 23 0.777 1.495 10.020 1.00 0.00 O ATOM 320 CB CYS A 23 -1.258 3.417 10.015 1.00 0.00 C ATOM 321 SG CYS A 23 -2.744 4.429 10.236 1.00 0.00 S ATOM 0 H CYS A 23 -2.720 1.671 10.897 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.660 2.290 8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.847 3.195 11.000 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.514 4.014 9.487 1.00 0.00 H new ATOM 326 N SER A 24 -0.144 0.232 8.434 1.00 0.00 N ATOM 327 CA SER A 24 1.029 -0.696 8.329 1.00 0.00 C ATOM 328 C SER A 24 2.142 -0.084 7.466 1.00 0.00 C ATOM 329 O SER A 24 1.869 0.462 6.417 1.00 0.00 O ATOM 330 CB SER A 24 0.533 -2.021 7.724 1.00 0.00 C ATOM 331 OG SER A 24 -0.029 -1.666 6.467 1.00 0.00 O ATOM 0 H SER A 24 -0.915 0.011 7.804 1.00 0.00 H new ATOM 0 HA SER A 24 1.453 -0.871 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.352 -2.730 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.208 -2.495 8.367 1.00 0.00 H new ATOM 0 HG SER A 24 0.456 -2.126 5.750 1.00 0.00 H new ATOM 337 N ALA A 25 3.364 -0.202 7.923 1.00 0.00 N ATOM 338 CA ALA A 25 4.524 0.367 7.166 1.00 0.00 C ATOM 339 C ALA A 25 4.962 -0.500 5.974 1.00 0.00 C ATOM 340 O ALA A 25 5.214 -1.680 6.123 1.00 0.00 O ATOM 341 CB ALA A 25 5.706 0.530 8.132 1.00 0.00 C ATOM 0 H ALA A 25 3.610 -0.671 8.794 1.00 0.00 H new ATOM 0 HA ALA A 25 4.204 1.324 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.560 0.944 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.424 1.204 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.974 -0.442 8.546 1.00 0.00 H new ATOM 347 N ILE A 26 5.033 0.132 4.824 1.00 0.00 N ATOM 348 CA ILE A 26 5.449 -0.572 3.568 1.00 0.00 C ATOM 349 C ILE A 26 6.979 -0.458 3.478 1.00 0.00 C ATOM 350 O ILE A 26 7.551 0.477 4.005 1.00 0.00 O ATOM 351 CB ILE A 26 4.797 0.102 2.308 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.294 0.433 2.561 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.885 -0.869 1.130 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.164 1.923 2.898 1.00 0.00 C ATOM 0 H ILE A 26 4.817 1.121 4.702 1.00 0.00 H new ATOM 0 HA ILE A 26 5.125 -1.612 3.592 1.00 0.00 H new ATOM 0 HB ILE A 26 5.331 1.028 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.701 0.193 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.907 -0.174 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.435 -0.413 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.931 -1.100 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.352 -1.788 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.116 2.166 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.746 2.146 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.537 2.518 2.065 1.00 0.00 H new ATOM 366 N HIS A 27 7.595 -1.409 2.816 1.00 0.00 N ATOM 367 CA HIS A 27 9.089 -1.397 2.670 1.00 0.00 C ATOM 368 C HIS A 27 9.530 -1.729 1.240 1.00 0.00 C ATOM 369 O HIS A 27 10.562 -1.263 0.796 1.00 0.00 O ATOM 370 CB HIS A 27 9.681 -2.422 3.657 1.00 0.00 C ATOM 371 CG HIS A 27 9.269 -2.032 5.082 1.00 0.00 C ATOM 372 ND1 HIS A 27 9.899 -1.196 5.840 1.00 0.00 N ATOM 373 CD2 HIS A 27 8.195 -2.447 5.853 1.00 0.00 C ATOM 374 CE1 HIS A 27 9.287 -1.091 6.976 1.00 0.00 C ATOM 375 NE2 HIS A 27 8.221 -1.851 7.028 1.00 0.00 N ATOM 0 H HIS A 27 7.127 -2.197 2.368 1.00 0.00 H new ATOM 0 HA HIS A 27 9.454 -0.394 2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.322 -3.424 3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.767 -2.445 3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.445 -3.157 5.537 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.616 -0.454 7.784 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.563 -1.957 7.800 1.00 0.00 H new ATOM 383 N GLN A 28 8.739 -2.521 0.563 1.00 0.00 N ATOM 384 CA GLN A 28 9.069 -2.915 -0.843 1.00 0.00 C ATOM 385 C GLN A 28 8.700 -1.769 -1.789 1.00 0.00 C ATOM 386 O GLN A 28 7.538 -1.553 -2.077 1.00 0.00 O ATOM 387 CB GLN A 28 8.277 -4.174 -1.226 1.00 0.00 C ATOM 388 CG GLN A 28 8.708 -5.394 -0.386 1.00 0.00 C ATOM 389 CD GLN A 28 8.304 -5.248 1.093 1.00 0.00 C ATOM 390 OE1 GLN A 28 7.215 -4.821 1.424 1.00 0.00 O ATOM 391 NE2 GLN A 28 9.160 -5.593 2.015 1.00 0.00 N ATOM 0 H GLN A 28 7.871 -2.916 0.926 1.00 0.00 H new ATOM 0 HA GLN A 28 10.136 -3.125 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.212 -3.992 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.425 -4.390 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.255 -6.296 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.789 -5.519 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.077 -5.953 1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.912 -5.503 3.000 1.00 0.00 H new ATOM 400 N LYS A 29 9.713 -1.075 -2.239 1.00 0.00 N ATOM 401 CA LYS A 29 9.535 0.077 -3.167 1.00 0.00 C ATOM 402 C LYS A 29 9.575 -0.317 -4.659 1.00 0.00 C ATOM 403 O LYS A 29 9.773 0.531 -5.510 1.00 0.00 O ATOM 404 CB LYS A 29 10.646 1.095 -2.835 1.00 0.00 C ATOM 405 CG LYS A 29 10.532 1.630 -1.376 1.00 0.00 C ATOM 406 CD LYS A 29 9.190 2.376 -1.163 1.00 0.00 C ATOM 407 CE LYS A 29 9.115 2.953 0.262 1.00 0.00 C ATOM 408 NZ LYS A 29 10.186 3.966 0.472 1.00 0.00 N ATOM 0 H LYS A 29 10.684 -1.267 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 29 8.541 0.500 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.620 0.626 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.592 1.931 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.607 0.800 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.364 2.302 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.094 3.180 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.357 1.693 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.138 3.409 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.218 2.150 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.967 4.534 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.098 3.484 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.243 4.589 -0.359 1.00 0.00 H new ATOM 422 N GLY A 30 9.385 -1.582 -4.941 1.00 0.00 N ATOM 423 CA GLY A 30 9.406 -2.059 -6.360 1.00 0.00 C ATOM 424 C GLY A 30 8.124 -1.667 -7.097 1.00 0.00 C ATOM 425 O GLY A 30 8.065 -0.631 -7.729 1.00 0.00 O ATOM 0 H GLY A 30 9.215 -2.309 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.268 -1.636 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.523 -3.143 -6.380 1.00 0.00 H new ATOM 429 N GLY A 31 7.146 -2.528 -6.981 1.00 0.00 N ATOM 430 CA GLY A 31 5.812 -2.321 -7.626 1.00 0.00 C ATOM 431 C GLY A 31 4.729 -2.518 -6.559 1.00 0.00 C ATOM 432 O GLY A 31 5.052 -2.963 -5.476 1.00 0.00 O ATOM 0 H GLY A 31 7.219 -3.395 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.747 -1.320 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.672 -3.027 -8.445 1.00 0.00 H new ATOM 436 N TYR A 32 3.490 -2.188 -6.848 1.00 0.00 N ATOM 437 CA TYR A 32 2.433 -2.388 -5.804 1.00 0.00 C ATOM 438 C TYR A 32 0.979 -2.414 -6.283 1.00 0.00 C ATOM 439 O TYR A 32 0.522 -1.573 -7.033 1.00 0.00 O ATOM 440 CB TYR A 32 2.580 -1.293 -4.729 1.00 0.00 C ATOM 441 CG TYR A 32 2.520 0.101 -5.344 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.315 0.727 -5.560 1.00 0.00 C ATOM 443 CD2 TYR A 32 3.683 0.748 -5.687 1.00 0.00 C ATOM 444 CE1 TYR A 32 1.270 1.983 -6.112 1.00 0.00 C ATOM 445 CE2 TYR A 32 3.642 2.004 -6.238 1.00 0.00 C ATOM 446 CZ TYR A 32 2.437 2.636 -6.458 1.00 0.00 C ATOM 447 OH TYR A 32 2.405 3.898 -7.014 1.00 0.00 O ATOM 0 H TYR A 32 3.171 -1.800 -7.736 1.00 0.00 H new ATOM 0 HA TYR A 32 2.614 -3.394 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.788 -1.400 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.527 -1.421 -4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.396 0.226 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.635 0.265 -5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.317 2.463 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.563 2.502 -6.502 1.00 0.00 H new ATOM 0 HH TYR A 32 3.320 4.201 -7.191 1.00 0.00 H new ATOM 457 N ASP A 33 0.297 -3.417 -5.800 1.00 0.00 N ATOM 458 CA ASP A 33 -1.132 -3.635 -6.131 1.00 0.00 C ATOM 459 C ASP A 33 -1.989 -3.284 -4.921 1.00 0.00 C ATOM 460 O ASP A 33 -1.505 -3.127 -3.817 1.00 0.00 O ATOM 461 CB ASP A 33 -1.327 -5.125 -6.524 1.00 0.00 C ATOM 462 CG ASP A 33 -2.805 -5.576 -6.415 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.563 -5.262 -7.317 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.099 -6.214 -5.415 1.00 0.00 O ATOM 0 H ASP A 33 0.690 -4.115 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.433 -3.000 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.978 -5.277 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.710 -5.752 -5.880 1.00 0.00 H new ATOM 469 N PHE A 34 -3.254 -3.169 -5.207 1.00 0.00 N ATOM 470 CA PHE A 34 -4.263 -2.846 -4.172 1.00 0.00 C ATOM 471 C PHE A 34 -5.522 -3.601 -4.577 1.00 0.00 C ATOM 472 O PHE A 34 -5.741 -3.865 -5.744 1.00 0.00 O ATOM 473 CB PHE A 34 -4.561 -1.330 -4.130 1.00 0.00 C ATOM 474 CG PHE A 34 -5.673 -1.095 -3.084 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.431 -1.317 -1.739 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.933 -0.671 -3.472 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.426 -1.123 -0.804 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.929 -0.475 -2.536 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.678 -0.702 -1.198 1.00 0.00 C ATOM 0 H PHE A 34 -3.638 -3.290 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.906 -3.128 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.663 -0.772 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.878 -0.976 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.453 -1.645 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.139 -0.492 -4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.223 -1.302 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.907 -0.143 -2.852 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.457 -0.551 -0.465 1.00 0.00 H new ATOM 489 N SER A 35 -6.298 -3.926 -3.580 1.00 0.00 N ATOM 490 CA SER A 35 -7.576 -4.663 -3.796 1.00 0.00 C ATOM 491 C SER A 35 -8.626 -3.926 -2.985 1.00 0.00 C ATOM 492 O SER A 35 -8.305 -3.322 -1.984 1.00 0.00 O ATOM 493 CB SER A 35 -7.408 -6.109 -3.304 1.00 0.00 C ATOM 494 OG SER A 35 -6.352 -6.637 -4.098 1.00 0.00 O ATOM 0 H SER A 35 -6.096 -3.707 -2.604 1.00 0.00 H new ATOM 0 HA SER A 35 -7.865 -4.704 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.160 -6.141 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.326 -6.681 -3.434 1.00 0.00 H new ATOM 0 HG SER A 35 -6.182 -7.567 -3.840 1.00 0.00 H new ATOM 500 N TYR A 36 -9.848 -3.999 -3.438 1.00 0.00 N ATOM 501 CA TYR A 36 -10.967 -3.310 -2.731 1.00 0.00 C ATOM 502 C TYR A 36 -12.184 -4.232 -2.629 1.00 0.00 C ATOM 503 O TYR A 36 -12.569 -4.861 -3.596 1.00 0.00 O ATOM 504 CB TYR A 36 -11.309 -2.052 -3.523 1.00 0.00 C ATOM 505 CG TYR A 36 -12.412 -1.241 -2.825 1.00 0.00 C ATOM 506 CD1 TYR A 36 -13.747 -1.514 -3.056 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.080 -0.226 -1.955 1.00 0.00 C ATOM 508 CE1 TYR A 36 -14.730 -0.781 -2.427 1.00 0.00 C ATOM 509 CE2 TYR A 36 -13.064 0.505 -1.328 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.393 0.233 -1.558 1.00 0.00 C ATOM 511 OH TYR A 36 -15.374 0.967 -0.924 1.00 0.00 O ATOM 0 H TYR A 36 -10.122 -4.512 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.671 -3.047 -1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.417 -1.436 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.635 -2.327 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.022 -2.308 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.041 -0.002 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.770 -1.003 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.790 1.299 -0.649 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.957 1.640 -0.346 1.00 0.00 H new ATOM 521 N THR A 37 -12.749 -4.273 -1.451 1.00 0.00 N ATOM 522 CA THR A 37 -13.950 -5.118 -1.184 1.00 0.00 C ATOM 523 C THR A 37 -14.719 -4.368 -0.095 1.00 0.00 C ATOM 524 O THR A 37 -14.800 -4.783 1.046 1.00 0.00 O ATOM 525 CB THR A 37 -13.510 -6.547 -0.698 1.00 0.00 C ATOM 526 OG1 THR A 37 -12.630 -6.352 0.399 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.659 -7.291 -1.747 1.00 0.00 C ATOM 0 H THR A 37 -12.420 -3.743 -0.644 1.00 0.00 H new ATOM 0 HA THR A 37 -14.563 -5.274 -2.072 1.00 0.00 H new ATOM 0 HB THR A 37 -14.412 -7.118 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.330 -7.222 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.382 -8.272 -1.361 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.236 -7.411 -2.664 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.757 -6.716 -1.958 1.00 0.00 H new ATOM 535 N GLY A 38 -15.268 -3.254 -0.515 1.00 0.00 N ATOM 536 CA GLY A 38 -16.052 -2.380 0.393 1.00 0.00 C ATOM 537 C GLY A 38 -15.152 -1.855 1.514 1.00 0.00 C ATOM 538 O GLY A 38 -15.572 -1.771 2.652 1.00 0.00 O ATOM 0 H GLY A 38 -15.200 -2.912 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.475 -1.546 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.888 -2.937 0.816 1.00 0.00 H new ATOM 542 N GLN A 39 -13.935 -1.520 1.151 1.00 0.00 N ATOM 543 CA GLN A 39 -12.975 -0.998 2.169 1.00 0.00 C ATOM 544 C GLN A 39 -11.863 -0.192 1.483 1.00 0.00 C ATOM 545 O GLN A 39 -11.077 -0.731 0.726 1.00 0.00 O ATOM 546 CB GLN A 39 -12.401 -2.211 2.936 1.00 0.00 C ATOM 547 CG GLN A 39 -12.152 -1.871 4.398 1.00 0.00 C ATOM 548 CD GLN A 39 -13.454 -1.437 5.068 1.00 0.00 C ATOM 549 OE1 GLN A 39 -13.664 -0.289 5.402 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.351 -2.354 5.274 1.00 0.00 N ATOM 0 H GLN A 39 -13.570 -1.586 0.201 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.475 -0.326 2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.095 -3.049 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.469 -2.531 2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.740 -2.737 4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.413 -1.074 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.170 -3.317 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.236 -2.111 5.718 1.00 0.00 H new ATOM 559 N THR A 40 -11.839 1.083 1.787 1.00 0.00 N ATOM 560 CA THR A 40 -10.820 2.010 1.197 1.00 0.00 C ATOM 561 C THR A 40 -9.501 1.949 1.976 1.00 0.00 C ATOM 562 O THR A 40 -9.433 1.427 3.072 1.00 0.00 O ATOM 563 CB THR A 40 -11.397 3.456 1.221 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.646 3.365 0.550 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.595 4.450 0.351 1.00 0.00 C ATOM 0 H THR A 40 -12.493 1.529 2.430 1.00 0.00 H new ATOM 0 HA THR A 40 -10.607 1.708 0.172 1.00 0.00 H new ATOM 0 HB THR A 40 -11.407 3.800 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.071 4.248 0.529 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.051 5.438 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.567 4.501 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.600 4.113 -0.685 1.00 0.00 H new ATOM 573 N ALA A 41 -8.496 2.501 1.349 1.00 0.00 N ATOM 574 CA ALA A 41 -7.120 2.558 1.925 1.00 0.00 C ATOM 575 C ALA A 41 -6.570 3.973 1.718 1.00 0.00 C ATOM 576 O ALA A 41 -7.069 4.724 0.901 1.00 0.00 O ATOM 577 CB ALA A 41 -6.236 1.539 1.208 1.00 0.00 C ATOM 0 H ALA A 41 -8.576 2.930 0.427 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.137 2.323 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.229 1.575 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.649 0.540 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.198 1.775 0.144 1.00 0.00 H new ATOM 583 N ALA A 42 -5.549 4.290 2.472 1.00 0.00 N ATOM 584 CA ALA A 42 -4.914 5.637 2.377 1.00 0.00 C ATOM 585 C ALA A 42 -3.428 5.531 2.687 1.00 0.00 C ATOM 586 O ALA A 42 -3.046 4.844 3.610 1.00 0.00 O ATOM 587 CB ALA A 42 -5.585 6.564 3.383 1.00 0.00 C ATOM 0 H ALA A 42 -5.124 3.665 3.157 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.034 6.033 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.131 7.553 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.648 6.639 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.456 6.164 4.389 1.00 0.00 H new ATOM 593 N LEU A 43 -2.629 6.215 1.910 1.00 0.00 N ATOM 594 CA LEU A 43 -1.159 6.188 2.117 1.00 0.00 C ATOM 595 C LEU A 43 -0.784 7.332 3.035 1.00 0.00 C ATOM 596 O LEU A 43 -1.514 8.294 3.164 1.00 0.00 O ATOM 597 CB LEU A 43 -0.433 6.360 0.779 1.00 0.00 C ATOM 598 CG LEU A 43 -0.466 5.088 -0.119 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.185 3.889 0.587 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.875 4.690 -0.494 1.00 0.00 C ATOM 0 H LEU A 43 -2.941 6.797 1.133 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.870 5.233 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.884 7.190 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.605 6.632 0.971 1.00 0.00 H new ATOM 0 HG LEU A 43 0.091 5.347 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.146 3.017 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.224 4.123 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.353 3.675 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.847 3.798 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.447 4.481 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.349 5.504 -1.043 1.00 0.00 H new ATOM 612 N TYR A 44 0.361 7.170 3.636 1.00 0.00 N ATOM 613 CA TYR A 44 0.897 8.185 4.579 1.00 0.00 C ATOM 614 C TYR A 44 2.422 8.203 4.510 1.00 0.00 C ATOM 615 O TYR A 44 3.072 7.203 4.749 1.00 0.00 O ATOM 616 CB TYR A 44 0.417 7.822 5.994 1.00 0.00 C ATOM 617 CG TYR A 44 -1.072 8.172 6.140 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.447 9.465 6.444 1.00 0.00 C ATOM 619 CD2 TYR A 44 -2.052 7.213 5.966 1.00 0.00 C ATOM 620 CE1 TYR A 44 -2.778 9.798 6.573 1.00 0.00 C ATOM 621 CE2 TYR A 44 -3.383 7.548 6.096 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.756 8.841 6.399 1.00 0.00 C ATOM 623 OH TYR A 44 -5.090 9.170 6.524 1.00 0.00 O ATOM 0 H TYR A 44 0.961 6.355 3.508 1.00 0.00 H new ATOM 0 HA TYR A 44 0.540 9.180 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.571 6.759 6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.003 8.363 6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.690 10.223 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.774 6.197 5.727 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.057 10.814 6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.141 6.791 5.959 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.639 8.374 6.368 1.00 0.00 H new ATOM 633 N ASN A 45 2.937 9.360 4.179 1.00 0.00 N ATOM 634 CA ASN A 45 4.415 9.554 4.068 1.00 0.00 C ATOM 635 C ASN A 45 5.104 9.416 5.434 1.00 0.00 C ATOM 636 O ASN A 45 6.318 9.402 5.507 1.00 0.00 O ATOM 637 CB ASN A 45 4.698 10.957 3.500 1.00 0.00 C ATOM 638 CG ASN A 45 4.281 11.085 2.030 1.00 0.00 C ATOM 639 OD1 ASN A 45 4.192 12.279 1.515 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 4.035 10.121 1.335 1.00 0.00 N flip ATOM 0 H ASN A 45 2.385 10.194 3.977 1.00 0.00 H new ATOM 0 HA ASN A 45 4.812 8.784 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.165 11.701 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.761 11.177 3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.101 9.181 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.763 10.251 0.361 1.00 0.00 H new ATOM 647 N GLN A 46 4.304 9.322 6.470 1.00 0.00 N ATOM 648 CA GLN A 46 4.833 9.188 7.859 1.00 0.00 C ATOM 649 C GLN A 46 4.289 7.916 8.528 1.00 0.00 C ATOM 650 O GLN A 46 3.110 7.621 8.461 1.00 0.00 O ATOM 651 CB GLN A 46 4.420 10.465 8.617 1.00 0.00 C ATOM 652 CG GLN A 46 4.869 11.661 7.743 1.00 0.00 C ATOM 653 CD GLN A 46 4.699 13.012 8.439 1.00 0.00 C ATOM 654 OE1 GLN A 46 4.796 13.147 9.643 1.00 0.00 O ATOM 655 NE2 GLN A 46 4.442 14.044 7.685 1.00 0.00 N ATOM 0 H GLN A 46 3.286 9.333 6.406 1.00 0.00 H new ATOM 0 HA GLN A 46 5.918 9.087 7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.343 10.487 8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.892 10.503 9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.916 11.530 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.295 11.662 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.361 13.930 6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.322 14.966 8.105 1.00 0.00 H new ATOM 664 N ALA A 47 5.203 7.213 9.152 1.00 0.00 N ATOM 665 CA ALA A 47 4.906 5.933 9.871 1.00 0.00 C ATOM 666 C ALA A 47 3.665 5.968 10.771 1.00 0.00 C ATOM 667 O ALA A 47 3.471 6.893 11.535 1.00 0.00 O ATOM 668 CB ALA A 47 6.123 5.561 10.724 1.00 0.00 C ATOM 0 H ALA A 47 6.185 7.487 9.193 1.00 0.00 H new ATOM 0 HA ALA A 47 4.693 5.194 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.924 4.630 11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.993 5.433 10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.319 6.355 11.444 1.00 0.00 H new ATOM 674 N GLY A 48 2.864 4.942 10.642 1.00 0.00 N ATOM 675 CA GLY A 48 1.614 4.824 11.450 1.00 0.00 C ATOM 676 C GLY A 48 0.698 6.047 11.306 1.00 0.00 C ATOM 677 O GLY A 48 0.182 6.539 12.290 1.00 0.00 O ATOM 0 H GLY A 48 3.027 4.167 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.071 3.930 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.876 4.693 12.500 1.00 0.00 H new ATOM 681 N CYS A 49 0.531 6.495 10.084 1.00 0.00 N ATOM 682 CA CYS A 49 -0.338 7.684 9.791 1.00 0.00 C ATOM 683 C CYS A 49 0.026 8.913 10.657 1.00 0.00 C ATOM 684 O CYS A 49 -0.836 9.705 10.992 1.00 0.00 O ATOM 685 CB CYS A 49 -1.817 7.310 10.035 1.00 0.00 C ATOM 686 SG CYS A 49 -2.524 6.010 9.000 1.00 0.00 S ATOM 0 H CYS A 49 0.968 6.080 9.261 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.174 7.957 8.749 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.921 7.006 11.077 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.418 8.210 9.904 1.00 0.00 H new ATOM 691 N SER A 50 1.287 9.047 10.998 1.00 0.00 N ATOM 692 CA SER A 50 1.723 10.213 11.841 1.00 0.00 C ATOM 693 C SER A 50 1.961 11.487 11.017 1.00 0.00 C ATOM 694 O SER A 50 2.767 12.335 11.352 1.00 0.00 O ATOM 695 CB SER A 50 3.010 9.804 12.596 1.00 0.00 C ATOM 696 OG SER A 50 3.955 9.529 11.572 1.00 0.00 O ATOM 0 H SER A 50 2.032 8.403 10.731 1.00 0.00 H new ATOM 0 HA SER A 50 0.923 10.455 12.541 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.356 10.604 13.251 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.840 8.929 13.224 1.00 0.00 H new ATOM 0 HG SER A 50 4.062 8.559 11.477 1.00 0.00 H new ATOM 702 N GLY A 51 1.219 11.554 9.950 1.00 0.00 N ATOM 703 CA GLY A 51 1.278 12.701 9.001 1.00 0.00 C ATOM 704 C GLY A 51 0.005 12.709 8.156 1.00 0.00 C ATOM 705 O GLY A 51 -0.894 11.920 8.375 1.00 0.00 O ATOM 0 H GLY A 51 0.548 10.833 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.373 13.639 9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.156 12.615 8.360 1.00 0.00 H new ATOM 709 N VAL A 52 -0.032 13.610 7.209 1.00 0.00 N ATOM 710 CA VAL A 52 -1.207 13.729 6.305 1.00 0.00 C ATOM 711 C VAL A 52 -1.062 12.672 5.199 1.00 0.00 C ATOM 712 O VAL A 52 0.037 12.232 4.914 1.00 0.00 O ATOM 713 CB VAL A 52 -1.228 15.161 5.721 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.421 16.182 6.866 1.00 0.00 C ATOM 715 CG2 VAL A 52 0.083 15.485 4.962 1.00 0.00 C ATOM 0 H VAL A 52 0.716 14.278 7.024 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.146 13.559 6.833 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.055 15.224 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.436 17.191 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.364 15.984 7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.599 16.092 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.033 16.499 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.928 15.404 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.212 14.780 4.141 1.00 0.00 H new ATOM 725 N ALA A 53 -2.167 12.293 4.606 1.00 0.00 N ATOM 726 CA ALA A 53 -2.106 11.267 3.520 1.00 0.00 C ATOM 727 C ALA A 53 -1.440 11.822 2.257 1.00 0.00 C ATOM 728 O ALA A 53 -1.332 13.022 2.089 1.00 0.00 O ATOM 729 CB ALA A 53 -3.529 10.799 3.186 1.00 0.00 C ATOM 0 H ALA A 53 -3.099 12.645 4.824 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.506 10.430 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.490 10.051 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.987 10.364 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.123 11.650 2.852 1.00 0.00 H new ATOM 735 N HIS A 54 -1.016 10.917 1.412 1.00 0.00 N ATOM 736 CA HIS A 54 -0.344 11.301 0.131 1.00 0.00 C ATOM 737 C HIS A 54 -1.085 10.692 -1.067 1.00 0.00 C ATOM 738 O HIS A 54 -1.119 11.279 -2.131 1.00 0.00 O ATOM 739 CB HIS A 54 1.105 10.797 0.169 1.00 0.00 C ATOM 740 CG HIS A 54 1.826 11.224 -1.116 1.00 0.00 C ATOM 741 ND1 HIS A 54 1.801 10.571 -2.230 1.00 0.00 N ATOM 742 CD2 HIS A 54 2.619 12.325 -1.388 1.00 0.00 C ATOM 743 CE1 HIS A 54 2.506 11.193 -3.119 1.00 0.00 C ATOM 744 NE2 HIS A 54 3.034 12.291 -2.638 1.00 0.00 N ATOM 0 H HIS A 54 -1.108 9.912 1.557 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.358 12.385 0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.620 11.202 1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.122 9.711 0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.863 13.101 -0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.642 10.849 -4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.629 12.965 -3.120 1.00 0.00 H new ATOM 752 N THR A 55 -1.651 9.531 -0.853 1.00 0.00 N ATOM 753 CA THR A 55 -2.408 8.824 -1.937 1.00 0.00 C ATOM 754 C THR A 55 -3.654 8.160 -1.329 1.00 0.00 C ATOM 755 O THR A 55 -3.777 8.062 -0.123 1.00 0.00 O ATOM 756 CB THR A 55 -1.456 7.782 -2.577 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.373 8.562 -3.063 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.040 7.131 -3.848 1.00 0.00 C ATOM 0 H THR A 55 -1.622 9.035 0.038 1.00 0.00 H new ATOM 0 HA THR A 55 -2.746 9.516 -2.709 1.00 0.00 H new ATOM 0 HB THR A 55 -1.232 7.005 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.472 8.102 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.326 6.411 -4.249 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.971 6.620 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.236 7.901 -4.594 1.00 0.00 H new ATOM 766 N ARG A 56 -4.542 7.726 -2.189 1.00 0.00 N ATOM 767 CA ARG A 56 -5.803 7.062 -1.731 1.00 0.00 C ATOM 768 C ARG A 56 -6.151 5.930 -2.713 1.00 0.00 C ATOM 769 O ARG A 56 -5.941 6.071 -3.903 1.00 0.00 O ATOM 770 CB ARG A 56 -6.941 8.108 -1.713 1.00 0.00 C ATOM 771 CG ARG A 56 -7.855 7.963 -0.478 1.00 0.00 C ATOM 772 CD ARG A 56 -7.106 8.456 0.776 1.00 0.00 C ATOM 773 NE ARG A 56 -8.057 8.427 1.929 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.764 8.990 3.076 1.00 0.00 C ATOM 775 NH1 ARG A 56 -6.620 9.600 3.247 1.00 0.00 N ATOM 776 NH2 ARG A 56 -8.647 8.921 4.032 1.00 0.00 N ATOM 0 H ARG A 56 -4.446 7.804 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.674 6.649 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.511 9.109 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.539 8.005 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.769 8.540 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.151 6.922 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.244 7.821 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.728 9.466 0.620 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.956 7.958 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.945 9.641 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.403 10.035 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.533 8.440 3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.452 9.348 4.938 1.00 0.00 H new ATOM 790 N PHE A 57 -6.672 4.852 -2.183 1.00 0.00 N ATOM 791 CA PHE A 57 -7.063 3.673 -3.026 1.00 0.00 C ATOM 792 C PHE A 57 -8.400 3.088 -2.534 1.00 0.00 C ATOM 793 O PHE A 57 -8.450 2.429 -1.512 1.00 0.00 O ATOM 794 CB PHE A 57 -5.991 2.554 -2.949 1.00 0.00 C ATOM 795 CG PHE A 57 -4.617 2.945 -3.524 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.489 3.664 -4.701 1.00 0.00 C ATOM 797 CD2 PHE A 57 -3.471 2.557 -2.852 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.240 3.986 -5.192 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.226 2.879 -3.345 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.108 3.592 -4.511 1.00 0.00 C ATOM 0 H PHE A 57 -6.847 4.734 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.155 4.022 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.864 2.261 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.359 1.679 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.373 3.975 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.554 1.997 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.149 4.547 -6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.339 2.569 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.130 3.844 -4.895 1.00 0.00 H new ATOM 810 N GLY A 58 -9.441 3.352 -3.285 1.00 0.00 N ATOM 811 CA GLY A 58 -10.811 2.849 -2.939 1.00 0.00 C ATOM 812 C GLY A 58 -11.336 1.940 -4.056 1.00 0.00 C ATOM 813 O GLY A 58 -12.526 1.874 -4.295 1.00 0.00 O ATOM 0 H GLY A 58 -9.400 3.906 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.778 2.300 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.490 3.690 -2.794 1.00 0.00 H new ATOM 817 N SER A 59 -10.414 1.263 -4.696 1.00 0.00 N ATOM 818 CA SER A 59 -10.742 0.328 -5.818 1.00 0.00 C ATOM 819 C SER A 59 -9.443 -0.368 -6.249 1.00 0.00 C ATOM 820 O SER A 59 -8.474 0.317 -6.518 1.00 0.00 O ATOM 821 CB SER A 59 -11.326 1.126 -7.005 1.00 0.00 C ATOM 822 OG SER A 59 -11.590 0.146 -7.999 1.00 0.00 O ATOM 0 H SER A 59 -9.419 1.322 -4.481 1.00 0.00 H new ATOM 0 HA SER A 59 -11.478 -0.409 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.235 1.655 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.621 1.875 -7.364 1.00 0.00 H new ATOM 0 HG SER A 59 -11.969 0.579 -8.793 1.00 0.00 H new ATOM 828 N SER A 60 -9.462 -1.684 -6.294 1.00 0.00 N ATOM 829 CA SER A 60 -8.275 -2.501 -6.701 1.00 0.00 C ATOM 830 C SER A 60 -7.368 -1.783 -7.718 1.00 0.00 C ATOM 831 O SER A 60 -7.752 -1.577 -8.853 1.00 0.00 O ATOM 832 CB SER A 60 -8.776 -3.825 -7.311 1.00 0.00 C ATOM 833 OG SER A 60 -9.643 -4.376 -6.330 1.00 0.00 O ATOM 0 H SER A 60 -10.283 -2.241 -6.056 1.00 0.00 H new ATOM 0 HA SER A 60 -7.673 -2.675 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.301 -3.653 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.947 -4.498 -7.528 1.00 0.00 H new ATOM 0 HG SER A 60 -10.004 -5.228 -6.654 1.00 0.00 H new ATOM 839 N ALA A 61 -6.194 -1.427 -7.260 1.00 0.00 N ATOM 840 CA ALA A 61 -5.200 -0.716 -8.125 1.00 0.00 C ATOM 841 C ALA A 61 -3.914 -1.544 -8.228 1.00 0.00 C ATOM 842 O ALA A 61 -3.033 -1.443 -7.396 1.00 0.00 O ATOM 843 CB ALA A 61 -4.912 0.667 -7.505 1.00 0.00 C ATOM 0 H ALA A 61 -5.876 -1.602 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.599 -0.585 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.189 1.199 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.837 1.242 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.507 0.539 -6.501 1.00 0.00 H new ATOM 849 N ARG A 62 -3.868 -2.338 -9.268 1.00 0.00 N ATOM 850 CA ARG A 62 -2.696 -3.230 -9.546 1.00 0.00 C ATOM 851 C ARG A 62 -1.533 -2.502 -10.249 1.00 0.00 C ATOM 852 O ARG A 62 -1.218 -2.760 -11.396 1.00 0.00 O ATOM 853 CB ARG A 62 -3.208 -4.423 -10.404 1.00 0.00 C ATOM 854 CG ARG A 62 -3.960 -3.910 -11.649 1.00 0.00 C ATOM 855 CD ARG A 62 -4.292 -5.094 -12.576 1.00 0.00 C ATOM 856 NE ARG A 62 -4.879 -4.549 -13.841 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.126 -4.012 -14.770 1.00 0.00 C ATOM 858 NH1 ARG A 62 -2.830 -3.935 -14.619 1.00 0.00 N ATOM 859 NH2 ARG A 62 -4.706 -3.559 -15.846 1.00 0.00 N ATOM 0 H ARG A 62 -4.616 -2.408 -9.958 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.285 -3.577 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.367 -5.045 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.868 -5.051 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.876 -3.402 -11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.349 -3.179 -12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.393 -5.671 -12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.996 -5.770 -12.091 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.888 -4.597 -13.983 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.393 -4.295 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.256 -3.515 -15.350 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.719 -3.628 -15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.147 -3.136 -16.587 1.00 0.00 H new ATOM 873 N ALA A 63 -0.915 -1.602 -9.524 1.00 0.00 N ATOM 874 CA ALA A 63 0.230 -0.827 -10.095 1.00 0.00 C ATOM 875 C ALA A 63 1.541 -1.595 -9.871 1.00 0.00 C ATOM 876 O ALA A 63 1.577 -2.567 -9.143 1.00 0.00 O ATOM 877 CB ALA A 63 0.288 0.546 -9.403 1.00 0.00 C ATOM 0 H ALA A 63 -1.155 -1.370 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 63 0.092 -0.689 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.119 1.123 -9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.645 1.081 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.432 0.408 -8.331 1.00 0.00 H new ATOM 883 N CYS A 64 2.587 -1.139 -10.511 1.00 0.00 N ATOM 884 CA CYS A 64 3.916 -1.807 -10.363 1.00 0.00 C ATOM 885 C CYS A 64 5.012 -0.747 -10.523 1.00 0.00 C ATOM 886 O CYS A 64 6.045 -0.964 -11.125 1.00 0.00 O ATOM 887 CB CYS A 64 4.017 -2.915 -11.435 1.00 0.00 C ATOM 888 SG CYS A 64 2.686 -4.142 -11.402 1.00 0.00 S ATOM 0 H CYS A 64 2.578 -0.330 -11.132 1.00 0.00 H new ATOM 0 HA CYS A 64 4.035 -2.267 -9.382 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.033 -2.446 -12.419 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.969 -3.432 -11.312 1.00 0.00 H new ATOM 893 N ASN A 65 4.708 0.387 -9.943 1.00 0.00 N ATOM 894 CA ASN A 65 5.600 1.576 -9.952 1.00 0.00 C ATOM 895 C ASN A 65 6.352 1.678 -8.610 1.00 0.00 C ATOM 896 O ASN A 65 5.980 1.021 -7.659 1.00 0.00 O ATOM 897 CB ASN A 65 4.711 2.789 -10.182 1.00 0.00 C ATOM 898 CG ASN A 65 4.025 2.672 -11.541 1.00 0.00 C ATOM 899 OD1 ASN A 65 2.979 1.902 -11.630 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 4.427 3.269 -12.520 1.00 0.00 N flip ATOM 0 H ASN A 65 3.833 0.537 -9.441 1.00 0.00 H new ATOM 0 HA ASN A 65 6.354 1.507 -10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.964 2.860 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.306 3.701 -10.141 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.247 3.872 -12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.945 3.167 -13.413 1.00 0.00 H new ATOM 907 N PRO A 66 7.386 2.490 -8.553 1.00 0.00 N ATOM 908 CA PRO A 66 7.985 2.936 -7.263 1.00 0.00 C ATOM 909 C PRO A 66 7.074 3.973 -6.580 1.00 0.00 C ATOM 910 O PRO A 66 6.184 4.525 -7.198 1.00 0.00 O ATOM 911 CB PRO A 66 9.353 3.508 -7.623 1.00 0.00 C ATOM 912 CG PRO A 66 9.369 3.709 -9.151 1.00 0.00 C ATOM 913 CD PRO A 66 8.100 3.059 -9.735 1.00 0.00 C ATOM 0 HA PRO A 66 8.090 2.121 -6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.524 4.453 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.148 2.829 -7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.399 4.771 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.261 3.258 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.483 3.792 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.350 2.283 -10.458 1.00 0.00 H new ATOM 921 N PHE A 67 7.340 4.195 -5.318 1.00 0.00 N ATOM 922 CA PHE A 67 6.550 5.176 -4.506 1.00 0.00 C ATOM 923 C PHE A 67 7.362 5.534 -3.245 1.00 0.00 C ATOM 924 O PHE A 67 8.551 5.278 -3.201 1.00 0.00 O ATOM 925 CB PHE A 67 5.194 4.528 -4.126 1.00 0.00 C ATOM 926 CG PHE A 67 5.438 3.310 -3.225 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.858 2.094 -3.722 1.00 0.00 C ATOM 928 CD2 PHE A 67 5.239 3.441 -1.874 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.071 1.037 -2.871 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.450 2.395 -1.016 1.00 0.00 C ATOM 931 CZ PHE A 67 5.867 1.191 -1.516 1.00 0.00 C ATOM 0 H PHE A 67 8.087 3.728 -4.804 1.00 0.00 H new ATOM 0 HA PHE A 67 6.356 6.088 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.565 5.254 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.659 4.225 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.020 1.973 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.909 4.390 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.398 0.085 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.289 2.519 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.037 0.360 -0.848 1.00 0.00 H new ATOM 941 N GLY A 68 6.717 6.113 -2.258 1.00 0.00 N ATOM 942 CA GLY A 68 7.453 6.483 -1.009 1.00 0.00 C ATOM 943 C GLY A 68 6.558 6.704 0.216 1.00 0.00 C ATOM 944 O GLY A 68 6.774 7.655 0.944 1.00 0.00 O ATOM 0 H GLY A 68 5.723 6.343 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.172 5.697 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.024 7.393 -1.195 1.00 0.00 H new ATOM 948 N TRP A 69 5.584 5.849 0.431 1.00 0.00 N ATOM 949 CA TRP A 69 4.685 6.013 1.608 1.00 0.00 C ATOM 950 C TRP A 69 5.315 5.193 2.738 1.00 0.00 C ATOM 951 O TRP A 69 5.702 4.060 2.519 1.00 0.00 O ATOM 952 CB TRP A 69 3.307 5.476 1.239 1.00 0.00 C ATOM 953 CG TRP A 69 2.804 6.200 -0.020 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.638 7.553 -0.137 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.448 5.617 -1.205 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.198 7.717 -1.358 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.050 6.628 -2.078 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.413 4.289 -1.640 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.628 6.321 -3.367 1.00 0.00 C ATOM 960 CZ3 TRP A 69 1.987 3.980 -2.930 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.595 4.998 -3.794 1.00 0.00 C ATOM 0 H TRP A 69 5.377 5.045 -0.162 1.00 0.00 H new ATOM 0 HA TRP A 69 4.570 7.053 1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.358 4.402 1.060 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.611 5.629 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.827 8.312 0.608 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.981 8.641 -1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.718 3.497 -0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.325 7.112 -4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 1.961 2.952 -3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.266 4.761 -4.795 1.00 0.00 H new ATOM 972 N LYS A 70 5.403 5.776 3.907 1.00 0.00 N ATOM 973 CA LYS A 70 6.008 5.047 5.058 1.00 0.00 C ATOM 974 C LYS A 70 5.011 3.957 5.448 1.00 0.00 C ATOM 975 O LYS A 70 5.396 2.817 5.598 1.00 0.00 O ATOM 976 CB LYS A 70 6.229 6.024 6.235 1.00 0.00 C ATOM 977 CG LYS A 70 7.459 5.610 7.096 1.00 0.00 C ATOM 978 CD LYS A 70 7.355 4.156 7.626 1.00 0.00 C ATOM 979 CE LYS A 70 8.596 3.818 8.474 1.00 0.00 C ATOM 980 NZ LYS A 70 9.819 3.837 7.622 1.00 0.00 N ATOM 0 H LYS A 70 5.083 6.722 4.112 1.00 0.00 H new ATOM 0 HA LYS A 70 6.975 4.616 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.376 7.033 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.337 6.049 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.366 5.711 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.554 6.294 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.452 4.042 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.274 3.460 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.698 4.538 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.477 2.836 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.586 3.325 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.615 3.378 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.111 4.821 7.456 1.00 0.00 H new ATOM 994 N SER A 71 3.768 4.357 5.590 1.00 0.00 N ATOM 995 CA SER A 71 2.674 3.410 5.966 1.00 0.00 C ATOM 996 C SER A 71 1.409 3.607 5.131 1.00 0.00 C ATOM 997 O SER A 71 1.274 4.563 4.392 1.00 0.00 O ATOM 998 CB SER A 71 2.344 3.592 7.466 1.00 0.00 C ATOM 999 OG SER A 71 2.085 4.980 7.631 1.00 0.00 O ATOM 0 H SER A 71 3.462 5.321 5.458 1.00 0.00 H new ATOM 0 HA SER A 71 3.029 2.399 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.479 2.994 7.753 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.176 3.271 8.093 1.00 0.00 H new ATOM 0 HG SER A 71 2.907 5.435 7.909 1.00 0.00 H new ATOM 1005 N ILE A 72 0.523 2.657 5.298 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.782 2.645 4.581 1.00 0.00 C ATOM 1007 C ILE A 72 -1.891 2.171 5.523 1.00 0.00 C ATOM 1008 O ILE A 72 -1.869 1.070 6.038 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.681 1.701 3.329 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.089 1.611 2.653 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.191 0.277 3.721 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -1.982 1.056 1.237 1.00 0.00 C ATOM 0 H ILE A 72 0.659 1.864 5.924 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.023 3.654 4.245 1.00 0.00 H new ATOM 0 HB ILE A 72 0.049 2.119 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.742 0.973 3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.547 2.600 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.134 -0.347 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.795 0.345 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.891 -0.166 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.975 1.004 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.348 1.709 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.546 0.057 1.270 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.830 3.054 5.709 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.997 2.781 6.587 1.00 0.00 C ATOM 1026 C PHE A 73 -5.075 2.025 5.810 1.00 0.00 C ATOM 1027 O PHE A 73 -5.566 2.505 4.808 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.543 4.116 7.097 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.823 3.879 7.914 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.808 3.046 9.019 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -7.007 4.490 7.544 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.960 2.823 9.742 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -8.160 4.268 8.268 1.00 0.00 C ATOM 1034 CZ PHE A 73 -8.137 3.435 9.366 1.00 0.00 C ATOM 0 H PHE A 73 -2.836 3.978 5.277 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.692 2.162 7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.794 4.613 7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.755 4.777 6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.887 2.567 9.317 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.029 5.144 6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.941 2.170 10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.082 4.748 7.974 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.041 3.262 9.932 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.400 0.860 6.310 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.440 0.004 5.666 1.00 0.00 C ATOM 1046 C ILE A 74 -7.656 0.044 6.599 1.00 0.00 C ATOM 1047 O ILE A 74 -7.519 -0.127 7.796 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.893 -1.444 5.524 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.558 -1.474 4.719 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.947 -2.356 4.839 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.731 -0.970 3.265 1.00 0.00 C ATOM 0 H ILE A 74 -4.982 0.460 7.150 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.708 0.353 4.669 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.691 -1.820 6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.817 -0.858 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.170 -2.492 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.549 -3.366 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.856 -2.377 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.177 -1.965 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.772 -1.012 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.451 -1.601 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.092 0.058 3.277 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.807 0.272 6.022 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.069 0.334 6.823 1.00 0.00 C ATOM 1065 C GLN A 75 -10.645 -1.082 7.010 1.00 0.00 C ATOM 1066 O GLN A 75 -10.079 -2.048 6.540 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.084 1.222 6.080 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.517 2.637 5.876 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.558 3.515 5.160 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -12.357 2.982 4.273 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -11.651 4.701 5.405 1.00 0.00 N flip ATOM 0 H GLN A 75 -8.929 0.420 5.020 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.861 0.755 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.325 0.778 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.013 1.275 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.256 3.077 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.600 2.591 5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.034 5.129 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.346 5.269 4.921 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.758 -1.148 7.699 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.459 -2.444 7.973 1.00 0.00 C ATOM 1082 C CYS A 76 -13.856 -2.178 8.586 1.00 0.00 C ATOM 1083 O CYS A 76 -14.407 -1.154 8.215 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.568 -3.279 8.923 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.053 -2.589 10.515 1.00 0.00 S ATOM 1086 OXT CYS A 76 -14.312 -2.987 9.379 1.00 0.00 O ATOM 0 H CYS A 76 -12.224 -0.332 8.095 1.00 0.00 H new ATOM 0 HA CYS A 76 -12.617 -2.999 7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.096 -4.210 9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -10.663 -3.540 8.374 1.00 0.00 H new TER 1091 CYS A 76