USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 687 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 40 MET CE :methyl -122:sc= -0.73 (180deg=-3.86!) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= -0.152 USER MOD Set 2.1: A 35 CYS SG : rot 36:sc= 0.438 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -137:sc= 1.56 (180deg=1.12) USER MOD Set 2.3: A 88 MET CE :methyl -144:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00538 USER MOD Single : A 3 SER OG : rot 16:sc= 0.629 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.0553 (180deg=-0.347) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.004 USER MOD Single : A 28 THR OG1 : rot 40:sc= 0.108 USER MOD Single : A 32 HIS : no HD1:sc= -0.0345 X(o=-0.034,f=-0.034) USER MOD Single : A 36 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 43 TYR OH : rot -86:sc= 0.218 USER MOD Single : A 46 ASN : amide:sc=-0.00571 X(o=-0.0057,f=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.573 F(o=-2.3,f=-0.57) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -112:sc= 0.00465 (180deg=-0.00652) USER MOD Single : A 57 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.5) USER MOD Single : A 60 ASN : amide:sc= -4.67! C(o=-4.7!,f=-9.5!) USER MOD Single : A 62 MET CE :methyl -159:sc= 0 (180deg=-0.281) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.28 F(o=-1.2,f=-0.28) USER MOD Single : A 71 GLN : amide:sc= -0.0145 K(o=-0.014,f=-1.3) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -177:sc= 0.87 USER MOD Single : A 84 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -75:sc= 0.26 USER MOD Single : A 90 THR OG1 : rot 69:sc= 1.17 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.320 24.642 18.464 1.00 0.00 N ATOM 2 CA GLY A 1 -10.907 25.471 17.347 1.00 0.00 C ATOM 3 C GLY A 1 -11.125 24.791 16.009 1.00 0.00 C ATOM 4 O GLY A 1 -10.292 24.002 15.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.151 25.151 19.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.333 24.422 18.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.773 23.758 18.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.462 26.409 17.369 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.852 25.723 17.456 1.00 0.00 H new ATOM 8 N SER A 2 -12.248 25.096 15.368 1.00 0.00 N ATOM 9 CA SER A 2 -12.575 24.505 14.075 1.00 0.00 C ATOM 10 C SER A 2 -11.487 24.806 13.049 1.00 0.00 C ATOM 11 O SER A 2 -11.056 23.923 12.308 1.00 0.00 O ATOM 12 CB SER A 2 -13.922 25.031 13.577 1.00 0.00 C ATOM 13 OG SER A 2 -13.911 26.444 13.473 1.00 0.00 O ATOM 0 H SER A 2 -12.947 25.749 15.722 1.00 0.00 H new ATOM 0 HA SER A 2 -12.640 23.424 14.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.150 24.594 12.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.712 24.720 14.260 1.00 0.00 H new ATOM 0 HG SER A 2 -14.783 26.755 13.151 1.00 0.00 H new ATOM 19 N SER A 3 -11.047 26.060 13.013 1.00 0.00 N ATOM 20 CA SER A 3 -10.012 26.480 12.075 1.00 0.00 C ATOM 21 C SER A 3 -10.264 25.894 10.690 1.00 0.00 C ATOM 22 O SER A 3 -9.336 25.457 10.010 1.00 0.00 O ATOM 23 CB SER A 3 -8.633 26.052 12.580 1.00 0.00 C ATOM 24 OG SER A 3 -8.562 24.645 12.736 1.00 0.00 O ATOM 0 H SER A 3 -11.391 26.802 13.622 1.00 0.00 H new ATOM 0 HA SER A 3 -10.042 27.567 12.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.867 26.383 11.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.424 26.538 13.533 1.00 0.00 H new ATOM 0 HG SER A 3 -9.308 24.225 12.260 1.00 0.00 H new ATOM 30 N GLY A 4 -11.528 25.888 10.277 1.00 0.00 N ATOM 31 CA GLY A 4 -11.881 25.354 8.974 1.00 0.00 C ATOM 32 C GLY A 4 -12.642 24.046 9.071 1.00 0.00 C ATOM 33 O GLY A 4 -12.982 23.598 10.166 1.00 0.00 O ATOM 0 H GLY A 4 -12.314 26.243 10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.486 26.084 8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.974 25.201 8.389 1.00 0.00 H new ATOM 37 N SER A 5 -12.912 23.434 7.923 1.00 0.00 N ATOM 38 CA SER A 5 -13.643 22.173 7.882 1.00 0.00 C ATOM 39 C SER A 5 -12.806 21.041 8.470 1.00 0.00 C ATOM 40 O SER A 5 -11.894 20.527 7.823 1.00 0.00 O ATOM 41 CB SER A 5 -14.039 21.835 6.444 1.00 0.00 C ATOM 42 OG SER A 5 -14.584 20.530 6.358 1.00 0.00 O ATOM 0 H SER A 5 -12.635 23.791 7.008 1.00 0.00 H new ATOM 0 HA SER A 5 -14.545 22.285 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.768 22.561 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.166 21.911 5.796 1.00 0.00 H new ATOM 0 HG SER A 5 -14.830 20.339 5.429 1.00 0.00 H new ATOM 48 N SER A 6 -13.123 20.658 9.703 1.00 0.00 N ATOM 49 CA SER A 6 -12.399 19.589 10.382 1.00 0.00 C ATOM 50 C SER A 6 -12.622 18.252 9.682 1.00 0.00 C ATOM 51 O SER A 6 -13.688 17.648 9.796 1.00 0.00 O ATOM 52 CB SER A 6 -12.842 19.493 11.843 1.00 0.00 C ATOM 53 OG SER A 6 -12.230 20.500 12.629 1.00 0.00 O ATOM 0 H SER A 6 -13.876 21.072 10.252 1.00 0.00 H new ATOM 0 HA SER A 6 -11.335 19.824 10.347 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.926 19.588 11.904 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.585 18.511 12.240 1.00 0.00 H new ATOM 0 HG SER A 6 -12.531 20.418 13.558 1.00 0.00 H new ATOM 59 N GLY A 7 -11.606 17.796 8.955 1.00 0.00 N ATOM 60 CA GLY A 7 -11.710 16.533 8.246 1.00 0.00 C ATOM 61 C GLY A 7 -10.615 16.357 7.212 1.00 0.00 C ATOM 62 O GLY A 7 -10.880 15.946 6.083 1.00 0.00 O ATOM 0 H GLY A 7 -10.714 18.278 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.664 15.713 8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.682 16.474 7.756 1.00 0.00 H new ATOM 66 N GLN A 8 -9.383 16.671 7.599 1.00 0.00 N ATOM 67 CA GLN A 8 -8.245 16.547 6.695 1.00 0.00 C ATOM 68 C GLN A 8 -7.442 15.287 7.001 1.00 0.00 C ATOM 69 O GLN A 8 -7.017 15.068 8.135 1.00 0.00 O ATOM 70 CB GLN A 8 -7.344 17.779 6.804 1.00 0.00 C ATOM 71 CG GLN A 8 -6.657 17.913 8.154 1.00 0.00 C ATOM 72 CD GLN A 8 -6.209 19.332 8.442 1.00 0.00 C ATOM 73 OE1 GLN A 8 -6.811 20.294 7.964 1.00 0.00 O ATOM 74 NE2 GLN A 8 -5.149 19.470 9.229 1.00 0.00 N ATOM 0 H GLN A 8 -9.147 17.013 8.531 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.628 16.474 5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.585 17.734 6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.940 18.672 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.339 17.585 8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.793 17.250 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.681 18.645 9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.803 20.401 9.460 1.00 0.00 H new ATOM 83 N LYS A 9 -7.238 14.460 5.981 1.00 0.00 N ATOM 84 CA LYS A 9 -6.486 13.221 6.138 1.00 0.00 C ATOM 85 C LYS A 9 -5.111 13.333 5.487 1.00 0.00 C ATOM 86 O LYS A 9 -4.092 13.040 6.111 1.00 0.00 O ATOM 87 CB LYS A 9 -7.258 12.050 5.527 1.00 0.00 C ATOM 88 CG LYS A 9 -6.730 10.688 5.945 1.00 0.00 C ATOM 89 CD LYS A 9 -7.033 10.397 7.405 1.00 0.00 C ATOM 90 CE LYS A 9 -6.991 8.905 7.696 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.294 8.245 7.401 1.00 0.00 N ATOM 0 H LYS A 9 -7.584 14.626 5.036 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.350 13.041 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.307 12.128 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.219 12.128 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.177 9.916 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.653 10.648 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.310 10.913 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.017 10.791 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.206 8.441 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.732 8.746 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.224 7.229 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.039 8.670 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.529 8.374 6.396 1.00 0.00 H new ATOM 105 N GLY A 10 -5.091 13.759 4.228 1.00 0.00 N ATOM 106 CA GLY A 10 -3.836 13.903 3.513 1.00 0.00 C ATOM 107 C GLY A 10 -3.878 13.275 2.134 1.00 0.00 C ATOM 108 O GLY A 10 -3.412 13.867 1.161 1.00 0.00 O ATOM 0 H GLY A 10 -5.921 14.007 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.594 14.962 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.036 13.444 4.094 1.00 0.00 H new ATOM 112 N TRP A 11 -4.436 12.073 2.050 1.00 0.00 N ATOM 113 CA TRP A 11 -4.536 11.364 0.780 1.00 0.00 C ATOM 114 C TRP A 11 -5.637 11.959 -0.091 1.00 0.00 C ATOM 115 O TRP A 11 -6.760 12.170 0.369 1.00 0.00 O ATOM 116 CB TRP A 11 -4.807 9.878 1.022 1.00 0.00 C ATOM 117 CG TRP A 11 -5.018 9.099 -0.241 1.00 0.00 C ATOM 118 CD1 TRP A 11 -6.005 9.289 -1.166 1.00 0.00 C ATOM 119 CD2 TRP A 11 -4.224 8.007 -0.717 1.00 0.00 C ATOM 120 NE1 TRP A 11 -5.873 8.380 -2.188 1.00 0.00 N ATOM 121 CE2 TRP A 11 -4.788 7.583 -1.936 1.00 0.00 C ATOM 122 CE3 TRP A 11 -3.092 7.346 -0.233 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.257 6.529 -2.675 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.566 6.300 -0.967 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.148 5.900 -2.177 1.00 0.00 C ATOM 0 H TRP A 11 -4.826 11.569 2.846 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.586 11.472 0.256 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.969 9.448 1.570 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.688 9.775 1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.776 10.043 -1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.484 8.310 -3.002 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.636 7.647 0.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.704 6.219 -3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.691 5.782 -0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.713 5.079 -2.728 1.00 0.00 H new ATOM 136 N PHE A 12 -5.310 12.227 -1.350 1.00 0.00 N ATOM 137 CA PHE A 12 -6.272 12.798 -2.285 1.00 0.00 C ATOM 138 C PHE A 12 -6.387 11.939 -3.541 1.00 0.00 C ATOM 139 O PHE A 12 -5.395 11.455 -4.086 1.00 0.00 O ATOM 140 CB PHE A 12 -5.862 14.223 -2.665 1.00 0.00 C ATOM 141 CG PHE A 12 -4.377 14.447 -2.637 1.00 0.00 C ATOM 142 CD1 PHE A 12 -3.580 14.024 -3.688 1.00 0.00 C ATOM 143 CD2 PHE A 12 -3.779 15.080 -1.559 1.00 0.00 C ATOM 144 CE1 PHE A 12 -2.213 14.229 -3.665 1.00 0.00 C ATOM 145 CE2 PHE A 12 -2.413 15.288 -1.531 1.00 0.00 C ATOM 146 CZ PHE A 12 -1.629 14.861 -2.585 1.00 0.00 C ATOM 0 H PHE A 12 -4.386 12.058 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.245 12.825 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.236 14.446 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.340 14.925 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.032 13.529 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.387 15.414 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.602 13.895 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.959 15.784 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.561 15.021 -2.564 1.00 0.00 H new ATOM 156 N PRO A 13 -7.628 11.743 -4.011 1.00 0.00 N ATOM 157 CA PRO A 13 -7.903 10.941 -5.207 1.00 0.00 C ATOM 158 C PRO A 13 -7.421 11.620 -6.484 1.00 0.00 C ATOM 159 O PRO A 13 -6.868 12.719 -6.443 1.00 0.00 O ATOM 160 CB PRO A 13 -9.429 10.820 -5.210 1.00 0.00 C ATOM 161 CG PRO A 13 -9.905 12.014 -4.455 1.00 0.00 C ATOM 162 CD PRO A 13 -8.857 12.289 -3.412 1.00 0.00 C ATOM 0 HA PRO A 13 -7.385 9.982 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.823 10.811 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.754 9.895 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.030 12.870 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.874 11.823 -3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.764 13.356 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.094 11.802 -2.466 1.00 0.00 H new ATOM 170 N ALA A 14 -7.634 10.960 -7.618 1.00 0.00 N ATOM 171 CA ALA A 14 -7.223 11.501 -8.907 1.00 0.00 C ATOM 172 C ALA A 14 -8.400 11.572 -9.873 1.00 0.00 C ATOM 173 O ALA A 14 -8.215 11.648 -11.088 1.00 0.00 O ATOM 174 CB ALA A 14 -6.101 10.661 -9.499 1.00 0.00 C ATOM 0 H ALA A 14 -8.089 10.049 -7.669 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.857 12.515 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.804 11.077 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.246 10.667 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.447 9.637 -9.638 1.00 0.00 H new ATOM 180 N SER A 15 -9.611 11.545 -9.327 1.00 0.00 N ATOM 181 CA SER A 15 -10.819 11.601 -10.141 1.00 0.00 C ATOM 182 C SER A 15 -11.603 12.880 -9.864 1.00 0.00 C ATOM 183 O SER A 15 -11.410 13.530 -8.836 1.00 0.00 O ATOM 184 CB SER A 15 -11.701 10.380 -9.869 1.00 0.00 C ATOM 185 OG SER A 15 -12.171 10.379 -8.532 1.00 0.00 O ATOM 0 H SER A 15 -9.782 11.485 -8.323 1.00 0.00 H new ATOM 0 HA SER A 15 -10.520 11.598 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.548 10.379 -10.556 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.135 9.468 -10.060 1.00 0.00 H new ATOM 0 HG SER A 15 -12.733 9.590 -8.384 1.00 0.00 H new ATOM 191 N HIS A 16 -12.488 13.237 -10.790 1.00 0.00 N ATOM 192 CA HIS A 16 -13.302 14.438 -10.646 1.00 0.00 C ATOM 193 C HIS A 16 -14.754 14.078 -10.345 1.00 0.00 C ATOM 194 O HIS A 16 -15.481 13.605 -11.218 1.00 0.00 O ATOM 195 CB HIS A 16 -13.228 15.286 -11.916 1.00 0.00 C ATOM 196 CG HIS A 16 -13.850 16.640 -11.771 1.00 0.00 C ATOM 197 ND1 HIS A 16 -15.001 16.865 -11.045 1.00 0.00 N ATOM 198 CD2 HIS A 16 -13.475 17.844 -12.262 1.00 0.00 C ATOM 199 CE1 HIS A 16 -15.307 18.149 -11.097 1.00 0.00 C ATOM 200 NE2 HIS A 16 -14.397 18.765 -11.829 1.00 0.00 N ATOM 0 H HIS A 16 -12.659 12.712 -11.647 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.908 15.015 -9.809 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.183 15.404 -12.203 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.723 14.753 -12.728 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.612 18.043 -12.879 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.157 18.616 -10.622 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.381 19.763 -12.039 1.00 0.00 H new ATOM 209 N VAL A 17 -15.170 14.306 -9.103 1.00 0.00 N ATOM 210 CA VAL A 17 -16.535 14.006 -8.687 1.00 0.00 C ATOM 211 C VAL A 17 -17.362 15.279 -8.556 1.00 0.00 C ATOM 212 O VAL A 17 -16.861 16.317 -8.123 1.00 0.00 O ATOM 213 CB VAL A 17 -16.559 13.251 -7.344 1.00 0.00 C ATOM 214 CG1 VAL A 17 -15.980 14.116 -6.235 1.00 0.00 C ATOM 215 CG2 VAL A 17 -17.976 12.812 -7.006 1.00 0.00 C ATOM 0 H VAL A 17 -14.581 14.697 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 17 -16.969 13.372 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.939 12.359 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.005 13.566 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.949 14.375 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.570 15.027 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.975 12.280 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.620 13.688 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -18.349 12.153 -7.790 1.00 0.00 H new ATOM 225 N LYS A 18 -18.633 15.194 -8.933 1.00 0.00 N ATOM 226 CA LYS A 18 -19.533 16.338 -8.857 1.00 0.00 C ATOM 227 C LYS A 18 -20.721 16.038 -7.948 1.00 0.00 C ATOM 228 O LYS A 18 -21.836 16.498 -8.195 1.00 0.00 O ATOM 229 CB LYS A 18 -20.029 16.717 -10.254 1.00 0.00 C ATOM 230 CG LYS A 18 -18.913 17.071 -11.221 1.00 0.00 C ATOM 231 CD LYS A 18 -19.324 16.822 -12.662 1.00 0.00 C ATOM 232 CE LYS A 18 -18.296 17.375 -13.638 1.00 0.00 C ATOM 233 NZ LYS A 18 -18.187 18.857 -13.549 1.00 0.00 N ATOM 0 H LYS A 18 -19.064 14.343 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.979 17.176 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.604 15.886 -10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -20.709 17.565 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.640 18.119 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.027 16.481 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.445 15.751 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.292 17.285 -12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.324 16.927 -13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.571 17.092 -14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.726 19.223 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.137 19.270 -13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.621 19.114 -12.715 1.00 0.00 H new ATOM 247 N LEU A 19 -20.474 15.264 -6.896 1.00 0.00 N ATOM 248 CA LEU A 19 -21.523 14.903 -5.949 1.00 0.00 C ATOM 249 C LEU A 19 -21.279 15.554 -4.592 1.00 0.00 C ATOM 250 O LEU A 19 -20.134 15.729 -4.172 1.00 0.00 O ATOM 251 CB LEU A 19 -21.596 13.383 -5.794 1.00 0.00 C ATOM 252 CG LEU A 19 -20.639 12.766 -4.774 1.00 0.00 C ATOM 253 CD1 LEU A 19 -21.280 12.726 -3.395 1.00 0.00 C ATOM 254 CD2 LEU A 19 -20.221 11.370 -5.210 1.00 0.00 C ATOM 0 H LEU A 19 -19.557 14.875 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 19 -22.473 15.268 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -22.615 13.115 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.402 12.929 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 19 -19.747 13.390 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -20.584 12.284 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.527 13.740 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -22.189 12.126 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -19.540 10.947 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.103 10.736 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.720 11.425 -6.176 1.00 0.00 H new ATOM 266 N LEU A 20 -22.361 15.908 -3.908 1.00 0.00 N ATOM 267 CA LEU A 20 -22.264 16.537 -2.595 1.00 0.00 C ATOM 268 C LEU A 20 -23.581 16.415 -1.834 1.00 0.00 C ATOM 269 O LEU A 20 -24.659 16.506 -2.420 1.00 0.00 O ATOM 270 CB LEU A 20 -21.882 18.011 -2.741 1.00 0.00 C ATOM 271 CG LEU A 20 -22.782 18.852 -3.647 1.00 0.00 C ATOM 272 CD1 LEU A 20 -22.787 20.304 -3.196 1.00 0.00 C ATOM 273 CD2 LEU A 20 -22.332 18.743 -5.096 1.00 0.00 C ATOM 0 H LEU A 20 -23.316 15.770 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.489 16.021 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -21.874 18.463 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.863 18.065 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 20 -23.799 18.467 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -23.433 20.887 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -23.159 20.366 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -21.773 20.702 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -22.984 19.348 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -21.306 19.101 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -22.383 17.702 -5.415 1.00 0.00 H new ATOM 285 N GLY A 21 -23.485 16.210 -0.524 1.00 0.00 N ATOM 286 CA GLY A 21 -24.675 16.080 0.296 1.00 0.00 C ATOM 287 C GLY A 21 -24.351 15.931 1.769 1.00 0.00 C ATOM 288 O GLY A 21 -23.198 15.737 2.156 1.00 0.00 O ATOM 0 H GLY A 21 -22.604 16.132 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -25.308 16.956 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -25.248 15.215 -0.036 1.00 0.00 H new ATOM 292 N PRO A 22 -25.385 16.023 2.619 1.00 0.00 N ATOM 293 CA PRO A 22 -25.229 15.901 4.071 1.00 0.00 C ATOM 294 C PRO A 22 -24.878 14.480 4.499 1.00 0.00 C ATOM 295 O PRO A 22 -25.710 13.576 4.426 1.00 0.00 O ATOM 296 CB PRO A 22 -26.606 16.297 4.610 1.00 0.00 C ATOM 297 CG PRO A 22 -27.549 15.997 3.497 1.00 0.00 C ATOM 298 CD PRO A 22 -26.785 16.254 2.227 1.00 0.00 C ATOM 0 HA PRO A 22 -24.415 16.520 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -26.858 15.730 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -26.637 17.352 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -27.892 14.963 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -28.435 16.630 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -27.095 15.580 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -26.938 17.270 1.864 1.00 0.00 H new ATOM 306 N SER A 23 -23.640 14.290 4.946 1.00 0.00 N ATOM 307 CA SER A 23 -23.178 12.978 5.383 1.00 0.00 C ATOM 308 C SER A 23 -22.804 12.998 6.862 1.00 0.00 C ATOM 309 O SER A 23 -22.673 14.063 7.466 1.00 0.00 O ATOM 310 CB SER A 23 -21.976 12.533 4.547 1.00 0.00 C ATOM 311 OG SER A 23 -22.324 12.409 3.179 1.00 0.00 O ATOM 0 H SER A 23 -22.939 15.028 5.015 1.00 0.00 H new ATOM 0 HA SER A 23 -23.993 12.268 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 23 -21.166 13.255 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.604 11.578 4.919 1.00 0.00 H new ATOM 0 HG SER A 23 -21.539 12.125 2.666 1.00 0.00 H new ATOM 317 N SER A 24 -22.634 11.813 7.439 1.00 0.00 N ATOM 318 CA SER A 24 -22.279 11.693 8.848 1.00 0.00 C ATOM 319 C SER A 24 -20.773 11.520 9.016 1.00 0.00 C ATOM 320 O SER A 24 -20.057 11.259 8.050 1.00 0.00 O ATOM 321 CB SER A 24 -23.014 10.509 9.481 1.00 0.00 C ATOM 322 OG SER A 24 -22.941 10.562 10.896 1.00 0.00 O ATOM 0 H SER A 24 -22.736 10.922 6.953 1.00 0.00 H new ATOM 0 HA SER A 24 -22.580 12.611 9.353 1.00 0.00 H new ATOM 0 HB2 SER A 24 -24.058 10.515 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 -22.579 9.575 9.126 1.00 0.00 H new ATOM 0 HG SER A 24 -23.419 9.796 11.277 1.00 0.00 H new ATOM 328 N GLU A 25 -20.300 11.668 10.250 1.00 0.00 N ATOM 329 CA GLU A 25 -18.879 11.529 10.544 1.00 0.00 C ATOM 330 C GLU A 25 -18.631 10.356 11.489 1.00 0.00 C ATOM 331 O GLU A 25 -19.205 10.289 12.576 1.00 0.00 O ATOM 332 CB GLU A 25 -18.335 12.819 11.162 1.00 0.00 C ATOM 333 CG GLU A 25 -18.366 14.007 10.215 1.00 0.00 C ATOM 334 CD GLU A 25 -17.333 13.900 9.110 1.00 0.00 C ATOM 335 OE1 GLU A 25 -16.185 14.340 9.329 1.00 0.00 O ATOM 336 OE2 GLU A 25 -17.672 13.378 8.028 1.00 0.00 O ATOM 0 H GLU A 25 -20.880 11.884 11.061 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.358 11.335 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.917 13.059 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.308 12.651 11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.359 14.088 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.194 14.922 10.781 1.00 0.00 H new ATOM 343 N ARG A 26 -17.774 9.434 11.065 1.00 0.00 N ATOM 344 CA ARG A 26 -17.451 8.263 11.871 1.00 0.00 C ATOM 345 C ARG A 26 -16.199 8.507 12.708 1.00 0.00 C ATOM 346 O ARG A 26 -15.224 9.086 12.230 1.00 0.00 O ATOM 347 CB ARG A 26 -17.247 7.040 10.974 1.00 0.00 C ATOM 348 CG ARG A 26 -18.546 6.419 10.486 1.00 0.00 C ATOM 349 CD ARG A 26 -18.352 5.684 9.169 1.00 0.00 C ATOM 350 NE ARG A 26 -17.853 4.326 9.369 1.00 0.00 N ATOM 351 CZ ARG A 26 -18.635 3.291 9.657 1.00 0.00 C ATOM 352 NH1 ARG A 26 -19.945 3.459 9.778 1.00 0.00 N ATOM 353 NH2 ARG A 26 -18.107 2.085 9.825 1.00 0.00 N ATOM 0 H ARG A 26 -17.291 9.475 10.168 1.00 0.00 H new ATOM 0 HA ARG A 26 -18.287 8.076 12.545 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.646 7.329 10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.678 6.289 11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -18.925 5.727 11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -19.299 7.198 10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.300 5.647 8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.653 6.239 8.544 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.850 4.163 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.354 4.384 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -20.543 2.663 9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.100 1.952 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.708 1.291 10.046 1.00 0.00 H new ATOM 367 N ALA A 27 -16.234 8.063 13.960 1.00 0.00 N ATOM 368 CA ALA A 27 -15.102 8.232 14.863 1.00 0.00 C ATOM 369 C ALA A 27 -14.665 6.895 15.452 1.00 0.00 C ATOM 370 O ALA A 27 -14.131 6.837 16.560 1.00 0.00 O ATOM 371 CB ALA A 27 -15.455 9.210 15.974 1.00 0.00 C ATOM 0 H ALA A 27 -17.034 7.583 14.372 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.268 8.636 14.289 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.601 9.327 16.641 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.711 10.176 15.540 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.306 8.828 16.538 1.00 0.00 H new ATOM 377 N THR A 28 -14.896 5.820 14.704 1.00 0.00 N ATOM 378 CA THR A 28 -14.528 4.483 15.153 1.00 0.00 C ATOM 379 C THR A 28 -13.015 4.300 15.150 1.00 0.00 C ATOM 380 O THR A 28 -12.336 4.552 14.154 1.00 0.00 O ATOM 381 CB THR A 28 -15.167 3.397 14.267 1.00 0.00 C ATOM 382 OG1 THR A 28 -14.807 3.609 12.897 1.00 0.00 O ATOM 383 CG2 THR A 28 -16.682 3.408 14.406 1.00 0.00 C ATOM 0 H THR A 28 -15.336 5.850 13.784 1.00 0.00 H new ATOM 0 HA THR A 28 -14.902 4.377 16.171 1.00 0.00 H new ATOM 0 HB THR A 28 -14.795 2.426 14.594 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.870 3.890 12.845 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.111 2.633 13.771 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.953 3.218 15.444 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.068 4.381 14.102 1.00 0.00 H new ATOM 391 N PRO A 29 -12.471 3.849 16.290 1.00 0.00 N ATOM 392 CA PRO A 29 -11.031 3.620 16.444 1.00 0.00 C ATOM 393 C PRO A 29 -10.542 2.430 15.626 1.00 0.00 C ATOM 394 O PRO A 29 -9.407 2.416 15.150 1.00 0.00 O ATOM 395 CB PRO A 29 -10.874 3.341 17.941 1.00 0.00 C ATOM 396 CG PRO A 29 -12.202 2.821 18.370 1.00 0.00 C ATOM 397 CD PRO A 29 -13.219 3.528 17.517 1.00 0.00 C ATOM 0 HA PRO A 29 -10.444 4.468 16.091 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.085 2.613 18.127 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.608 4.246 18.487 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.261 1.741 18.233 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.375 3.018 19.428 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.080 2.893 17.308 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.597 4.427 18.004 1.00 0.00 H new ATOM 405 N ALA A 30 -11.407 1.433 15.465 1.00 0.00 N ATOM 406 CA ALA A 30 -11.064 0.240 14.702 1.00 0.00 C ATOM 407 C ALA A 30 -11.055 0.530 13.205 1.00 0.00 C ATOM 408 O ALA A 30 -11.991 1.127 12.672 1.00 0.00 O ATOM 409 CB ALA A 30 -12.036 -0.886 15.018 1.00 0.00 C ATOM 0 H ALA A 30 -12.350 1.429 15.853 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.060 -0.070 14.991 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.768 -1.771 14.441 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.990 -1.119 16.082 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.048 -0.576 14.758 1.00 0.00 H new ATOM 415 N PHE A 31 -9.992 0.103 12.530 1.00 0.00 N ATOM 416 CA PHE A 31 -9.861 0.318 11.094 1.00 0.00 C ATOM 417 C PHE A 31 -10.013 -0.995 10.331 1.00 0.00 C ATOM 418 O PHE A 31 -9.727 -2.070 10.860 1.00 0.00 O ATOM 419 CB PHE A 31 -8.507 0.953 10.774 1.00 0.00 C ATOM 420 CG PHE A 31 -7.338 0.066 11.092 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.875 -0.853 10.163 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.702 0.150 12.320 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.800 -1.671 10.453 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.625 -0.666 12.615 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.175 -1.578 11.681 1.00 0.00 C ATOM 0 H PHE A 31 -9.209 -0.394 12.955 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.655 0.995 10.779 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.478 1.213 9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.410 1.883 11.334 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.360 -0.930 9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.051 0.860 13.055 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.449 -2.382 9.720 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.136 -0.590 13.575 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.336 -2.218 11.910 1.00 0.00 H new ATOM 435 N HIS A 32 -10.466 -0.900 9.085 1.00 0.00 N ATOM 436 CA HIS A 32 -10.656 -2.079 8.249 1.00 0.00 C ATOM 437 C HIS A 32 -10.041 -1.871 6.868 1.00 0.00 C ATOM 438 O HIS A 32 -10.594 -1.179 6.013 1.00 0.00 O ATOM 439 CB HIS A 32 -12.145 -2.400 8.113 1.00 0.00 C ATOM 440 CG HIS A 32 -12.885 -2.370 9.415 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.765 -3.356 10.372 1.00 0.00 N ATOM 442 CD2 HIS A 32 -13.757 -1.465 9.918 1.00 0.00 C ATOM 443 CE1 HIS A 32 -13.532 -3.060 11.406 1.00 0.00 C ATOM 444 NE2 HIS A 32 -14.145 -1.917 11.155 1.00 0.00 N ATOM 0 H HIS A 32 -10.708 -0.019 8.632 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.153 -2.919 8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.601 -1.685 7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.256 -3.387 7.664 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.086 -0.556 9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.640 -3.651 12.303 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.800 -1.447 11.779 1.00 0.00 H new ATOM 453 N PRO A 33 -8.869 -2.483 6.644 1.00 0.00 N ATOM 454 CA PRO A 33 -8.153 -2.379 5.369 1.00 0.00 C ATOM 455 C PRO A 33 -8.866 -3.118 4.242 1.00 0.00 C ATOM 456 O PRO A 33 -9.803 -3.880 4.481 1.00 0.00 O ATOM 457 CB PRO A 33 -6.801 -3.033 5.666 1.00 0.00 C ATOM 458 CG PRO A 33 -7.073 -3.970 6.792 1.00 0.00 C ATOM 459 CD PRO A 33 -8.152 -3.323 7.617 1.00 0.00 C ATOM 0 HA PRO A 33 -8.076 -1.347 5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.417 -3.563 4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.053 -2.289 5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.396 -4.943 6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.175 -4.137 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.810 -4.064 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.734 -2.729 8.430 1.00 0.00 H new ATOM 467 N VAL A 34 -8.416 -2.889 3.012 1.00 0.00 N ATOM 468 CA VAL A 34 -9.011 -3.535 1.848 1.00 0.00 C ATOM 469 C VAL A 34 -8.345 -4.877 1.565 1.00 0.00 C ATOM 470 O VAL A 34 -9.006 -5.837 1.167 1.00 0.00 O ATOM 471 CB VAL A 34 -8.901 -2.645 0.595 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.711 -1.370 0.773 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.444 -2.324 0.297 1.00 0.00 C ATOM 0 H VAL A 34 -7.642 -2.261 2.796 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.064 -3.696 2.078 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.310 -3.191 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.621 -0.754 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.759 -1.624 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.334 -0.817 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.384 -1.695 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.007 -1.797 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.896 -3.250 0.123 1.00 0.00 H new ATOM 483 N CYS A 35 -7.035 -4.937 1.773 1.00 0.00 N ATOM 484 CA CYS A 35 -6.279 -6.162 1.540 1.00 0.00 C ATOM 485 C CYS A 35 -4.924 -6.106 2.238 1.00 0.00 C ATOM 486 O CYS A 35 -4.556 -5.084 2.817 1.00 0.00 O ATOM 487 CB CYS A 35 -6.084 -6.389 0.040 1.00 0.00 C ATOM 488 SG CYS A 35 -7.399 -7.357 -0.737 1.00 0.00 S ATOM 0 H CYS A 35 -6.474 -4.152 2.103 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.847 -6.994 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.017 -5.421 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.132 -6.895 -0.119 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.538 -7.066 -0.182 1.00 0.00 H new ATOM 494 N GLN A 36 -4.188 -7.211 2.179 1.00 0.00 N ATOM 495 CA GLN A 36 -2.874 -7.288 2.808 1.00 0.00 C ATOM 496 C GLN A 36 -1.805 -7.668 1.790 1.00 0.00 C ATOM 497 O GLN A 36 -1.902 -8.702 1.129 1.00 0.00 O ATOM 498 CB GLN A 36 -2.892 -8.304 3.951 1.00 0.00 C ATOM 499 CG GLN A 36 -1.720 -8.162 4.910 1.00 0.00 C ATOM 500 CD GLN A 36 -1.565 -9.361 5.824 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.404 -10.262 5.833 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.487 -9.379 6.599 1.00 0.00 N ATOM 0 H GLN A 36 -4.479 -8.065 1.703 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.633 -6.304 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.822 -8.195 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.888 -9.310 3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.802 -8.025 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.856 -7.265 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.183 -8.611 6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.329 -10.161 7.234 1.00 0.00 H new ATOM 511 N VAL A 37 -0.784 -6.825 1.669 1.00 0.00 N ATOM 512 CA VAL A 37 0.305 -7.074 0.731 1.00 0.00 C ATOM 513 C VAL A 37 1.655 -7.055 1.440 1.00 0.00 C ATOM 514 O VAL A 37 1.742 -6.721 2.622 1.00 0.00 O ATOM 515 CB VAL A 37 0.318 -6.031 -0.402 1.00 0.00 C ATOM 516 CG1 VAL A 37 -1.011 -6.030 -1.142 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.632 -4.649 0.149 1.00 0.00 C ATOM 0 H VAL A 37 -0.688 -5.964 2.208 1.00 0.00 H new ATOM 0 HA VAL A 37 0.136 -8.062 0.303 1.00 0.00 H new ATOM 0 HB VAL A 37 1.101 -6.300 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.983 -5.287 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.189 -7.016 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.814 -5.786 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.637 -3.925 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.126 -4.368 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.611 -4.662 0.629 1.00 0.00 H new ATOM 527 N ILE A 38 2.705 -7.415 0.710 1.00 0.00 N ATOM 528 CA ILE A 38 4.051 -7.439 1.268 1.00 0.00 C ATOM 529 C ILE A 38 5.026 -6.669 0.384 1.00 0.00 C ATOM 530 O ILE A 38 4.866 -6.617 -0.835 1.00 0.00 O ATOM 531 CB ILE A 38 4.563 -8.880 1.444 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.730 -8.914 2.433 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.984 -9.460 0.101 1.00 0.00 C ATOM 534 CD1 ILE A 38 6.009 -10.291 2.992 1.00 0.00 C ATOM 0 H ILE A 38 2.649 -7.694 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 38 3.995 -6.961 2.246 1.00 0.00 H new ATOM 0 HB ILE A 38 3.754 -9.490 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.627 -8.544 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.517 -8.233 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.344 -10.479 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.130 -9.467 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.780 -8.850 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.848 -10.239 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.126 -10.656 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.253 -10.972 2.177 1.00 0.00 H new ATOM 546 N ALA A 39 6.038 -6.074 1.007 1.00 0.00 N ATOM 547 CA ALA A 39 7.042 -5.310 0.276 1.00 0.00 C ATOM 548 C ALA A 39 7.927 -6.227 -0.562 1.00 0.00 C ATOM 549 O ALA A 39 8.460 -7.217 -0.062 1.00 0.00 O ATOM 550 CB ALA A 39 7.889 -4.493 1.241 1.00 0.00 C ATOM 0 H ALA A 39 6.184 -6.106 2.016 1.00 0.00 H new ATOM 0 HA ALA A 39 6.524 -4.630 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.634 -3.928 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.250 -3.804 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.391 -5.162 1.941 1.00 0.00 H new ATOM 556 N MET A 40 8.078 -5.890 -1.839 1.00 0.00 N ATOM 557 CA MET A 40 8.899 -6.684 -2.746 1.00 0.00 C ATOM 558 C MET A 40 10.361 -6.258 -2.669 1.00 0.00 C ATOM 559 O MET A 40 11.265 -7.069 -2.873 1.00 0.00 O ATOM 560 CB MET A 40 8.390 -6.545 -4.182 1.00 0.00 C ATOM 561 CG MET A 40 7.011 -7.147 -4.399 1.00 0.00 C ATOM 562 SD MET A 40 6.616 -7.368 -6.145 1.00 0.00 S ATOM 563 CE MET A 40 6.671 -5.672 -6.720 1.00 0.00 C ATOM 0 H MET A 40 7.643 -5.073 -2.269 1.00 0.00 H new ATOM 0 HA MET A 40 8.827 -7.728 -2.442 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.362 -5.488 -4.448 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.098 -7.025 -4.858 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.956 -8.111 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.261 -6.503 -3.940 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.710 -5.405 -7.159 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.882 -5.010 -5.880 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.454 -5.568 -7.471 1.00 0.00 H new ATOM 573 N TYR A 41 10.586 -4.983 -2.374 1.00 0.00 N ATOM 574 CA TYR A 41 11.939 -4.449 -2.273 1.00 0.00 C ATOM 575 C TYR A 41 12.065 -3.504 -1.082 1.00 0.00 C ATOM 576 O TYR A 41 11.068 -2.981 -0.582 1.00 0.00 O ATOM 577 CB TYR A 41 12.319 -3.717 -3.561 1.00 0.00 C ATOM 578 CG TYR A 41 11.643 -4.272 -4.794 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.413 -3.782 -5.215 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.233 -5.287 -5.538 1.00 0.00 C ATOM 581 CE1 TYR A 41 9.790 -4.286 -6.341 1.00 0.00 C ATOM 582 CE2 TYR A 41 11.618 -5.795 -6.665 1.00 0.00 C ATOM 583 CZ TYR A 41 10.397 -5.292 -7.063 1.00 0.00 C ATOM 584 OH TYR A 41 9.782 -5.798 -8.185 1.00 0.00 O ATOM 0 H TYR A 41 9.849 -4.300 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 41 12.621 -5.286 -2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.062 -2.663 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.400 -3.770 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.935 -2.993 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.188 -5.685 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.833 -3.894 -6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.091 -6.583 -7.232 1.00 0.00 H new ATOM 0 HH TYR A 41 10.343 -6.500 -8.577 1.00 0.00 H new ATOM 594 N ASP A 42 13.296 -3.288 -0.633 1.00 0.00 N ATOM 595 CA ASP A 42 13.554 -2.404 0.498 1.00 0.00 C ATOM 596 C ASP A 42 13.195 -0.962 0.154 1.00 0.00 C ATOM 597 O ASP A 42 13.977 -0.252 -0.480 1.00 0.00 O ATOM 598 CB ASP A 42 15.023 -2.492 0.917 1.00 0.00 C ATOM 599 CG ASP A 42 15.966 -2.444 -0.269 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.279 -3.519 -0.822 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.392 -1.331 -0.644 1.00 0.00 O ATOM 0 H ASP A 42 14.132 -3.713 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 42 12.927 -2.726 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.254 -1.671 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.186 -3.417 1.470 1.00 0.00 H new ATOM 606 N TYR A 43 12.010 -0.536 0.574 1.00 0.00 N ATOM 607 CA TYR A 43 11.546 0.820 0.307 1.00 0.00 C ATOM 608 C TYR A 43 11.974 1.771 1.421 1.00 0.00 C ATOM 609 O TYR A 43 11.739 1.510 2.600 1.00 0.00 O ATOM 610 CB TYR A 43 10.023 0.841 0.161 1.00 0.00 C ATOM 611 CG TYR A 43 9.504 2.045 -0.593 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.594 3.321 -0.050 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.923 1.906 -1.847 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.121 4.423 -0.735 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.448 3.003 -2.540 1.00 0.00 C ATOM 616 CZ TYR A 43 8.549 4.259 -1.979 1.00 0.00 C ATOM 617 OH TYR A 43 8.076 5.354 -2.665 1.00 0.00 O ATOM 0 H TYR A 43 11.352 -1.110 1.101 1.00 0.00 H new ATOM 0 HA TYR A 43 11.999 1.155 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.703 -0.065 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.571 0.821 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.041 3.453 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.841 0.924 -2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.199 5.408 -0.299 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.000 2.878 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 43 7.156 5.544 -2.384 1.00 0.00 H new ATOM 627 N ALA A 44 12.604 2.876 1.036 1.00 0.00 N ATOM 628 CA ALA A 44 13.063 3.869 1.999 1.00 0.00 C ATOM 629 C ALA A 44 12.402 5.220 1.753 1.00 0.00 C ATOM 630 O ALA A 44 12.812 5.971 0.868 1.00 0.00 O ATOM 631 CB ALA A 44 14.578 4.001 1.939 1.00 0.00 C ATOM 0 H ALA A 44 12.808 3.106 0.063 1.00 0.00 H new ATOM 0 HA ALA A 44 12.778 3.531 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.907 4.746 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.036 3.040 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.877 4.312 0.938 1.00 0.00 H new ATOM 637 N ALA A 45 11.376 5.524 2.541 1.00 0.00 N ATOM 638 CA ALA A 45 10.658 6.786 2.409 1.00 0.00 C ATOM 639 C ALA A 45 11.626 7.962 2.328 1.00 0.00 C ATOM 640 O ALA A 45 12.481 8.135 3.195 1.00 0.00 O ATOM 641 CB ALA A 45 9.697 6.971 3.574 1.00 0.00 C ATOM 0 H ALA A 45 11.023 4.913 3.278 1.00 0.00 H new ATOM 0 HA ALA A 45 10.086 6.755 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.168 7.917 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.978 6.152 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.256 6.976 4.510 1.00 0.00 H new ATOM 647 N ASN A 46 11.486 8.766 1.279 1.00 0.00 N ATOM 648 CA ASN A 46 12.349 9.925 1.084 1.00 0.00 C ATOM 649 C ASN A 46 12.025 11.021 2.094 1.00 0.00 C ATOM 650 O ASN A 46 12.768 11.992 2.232 1.00 0.00 O ATOM 651 CB ASN A 46 12.197 10.467 -0.339 1.00 0.00 C ATOM 652 CG ASN A 46 12.922 9.614 -1.362 1.00 0.00 C ATOM 653 OD1 ASN A 46 13.981 9.992 -1.863 1.00 0.00 O ATOM 654 ND2 ASN A 46 12.353 8.456 -1.678 1.00 0.00 N ATOM 0 H ASN A 46 10.783 8.636 0.551 1.00 0.00 H new ATOM 0 HA ASN A 46 13.381 9.608 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.139 10.516 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.583 11.486 -0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.795 7.840 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.474 8.183 -1.238 1.00 0.00 H new ATOM 661 N ASN A 47 10.910 10.858 2.800 1.00 0.00 N ATOM 662 CA ASN A 47 10.487 11.833 3.798 1.00 0.00 C ATOM 663 C ASN A 47 9.352 11.278 4.654 1.00 0.00 C ATOM 664 O ASN A 47 8.705 10.299 4.284 1.00 0.00 O ATOM 665 CB ASN A 47 10.041 13.129 3.118 1.00 0.00 C ATOM 666 CG ASN A 47 9.461 12.888 1.738 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.497 11.978 1.652 1.00 0.00 O flip ATOM 668 ND2 ASN A 47 9.874 13.512 0.760 1.00 0.00 N flip ATOM 0 H ASN A 47 10.283 10.059 2.699 1.00 0.00 H new ATOM 0 HA ASN A 47 11.337 12.045 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.296 13.625 3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.892 13.806 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.616 14.202 0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.474 13.339 -0.162 1.00 0.00 H new ATOM 675 N GLU A 48 9.118 11.911 5.799 1.00 0.00 N ATOM 676 CA GLU A 48 8.062 11.480 6.707 1.00 0.00 C ATOM 677 C GLU A 48 6.737 11.324 5.966 1.00 0.00 C ATOM 678 O GLU A 48 5.813 10.674 6.455 1.00 0.00 O ATOM 679 CB GLU A 48 7.903 12.483 7.852 1.00 0.00 C ATOM 680 CG GLU A 48 9.015 12.409 8.885 1.00 0.00 C ATOM 681 CD GLU A 48 9.244 10.999 9.396 1.00 0.00 C ATOM 682 OE1 GLU A 48 9.989 10.244 8.737 1.00 0.00 O ATOM 683 OE2 GLU A 48 8.678 10.652 10.453 1.00 0.00 O ATOM 0 H GLU A 48 9.645 12.723 6.120 1.00 0.00 H new ATOM 0 HA GLU A 48 8.345 10.511 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.869 13.491 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.947 12.309 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.939 12.787 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.770 13.060 9.724 1.00 0.00 H new ATOM 690 N ASP A 49 6.653 11.924 4.784 1.00 0.00 N ATOM 691 CA ASP A 49 5.443 11.851 3.974 1.00 0.00 C ATOM 692 C ASP A 49 5.248 10.446 3.412 1.00 0.00 C ATOM 693 O ASP A 49 4.121 9.975 3.272 1.00 0.00 O ATOM 694 CB ASP A 49 5.506 12.867 2.832 1.00 0.00 C ATOM 695 CG ASP A 49 4.992 14.232 3.242 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.762 14.380 3.400 1.00 0.00 O ATOM 697 OD2 ASP A 49 5.820 15.154 3.406 1.00 0.00 O ATOM 0 H ASP A 49 7.409 12.466 4.365 1.00 0.00 H new ATOM 0 HA ASP A 49 4.593 12.087 4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.536 12.958 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.920 12.499 1.990 1.00 0.00 H new ATOM 702 N GLU A 50 6.356 9.784 3.091 1.00 0.00 N ATOM 703 CA GLU A 50 6.306 8.434 2.542 1.00 0.00 C ATOM 704 C GLU A 50 6.492 7.393 3.642 1.00 0.00 C ATOM 705 O GLU A 50 6.781 7.731 4.791 1.00 0.00 O ATOM 706 CB GLU A 50 7.381 8.256 1.468 1.00 0.00 C ATOM 707 CG GLU A 50 6.966 8.771 0.100 1.00 0.00 C ATOM 708 CD GLU A 50 8.020 8.524 -0.961 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.176 8.228 -0.590 1.00 0.00 O ATOM 710 OE2 GLU A 50 7.691 8.628 -2.161 1.00 0.00 O ATOM 0 H GLU A 50 7.298 10.160 3.202 1.00 0.00 H new ATOM 0 HA GLU A 50 5.325 8.289 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.286 8.775 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.631 7.198 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.035 8.289 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.764 9.840 0.164 1.00 0.00 H new ATOM 717 N LEU A 51 6.325 6.125 3.282 1.00 0.00 N ATOM 718 CA LEU A 51 6.474 5.032 4.237 1.00 0.00 C ATOM 719 C LEU A 51 7.779 4.278 4.003 1.00 0.00 C ATOM 720 O LEU A 51 8.076 3.865 2.882 1.00 0.00 O ATOM 721 CB LEU A 51 5.290 4.070 4.131 1.00 0.00 C ATOM 722 CG LEU A 51 4.874 3.372 5.426 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.842 2.292 5.142 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.088 2.782 6.128 1.00 0.00 C ATOM 0 H LEU A 51 6.086 5.828 2.336 1.00 0.00 H new ATOM 0 HA LEU A 51 6.498 5.460 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.432 4.622 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.533 3.306 3.392 1.00 0.00 H new ATOM 0 HG LEU A 51 4.422 4.112 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.558 1.806 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.961 2.742 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.266 1.553 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.773 2.289 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.569 2.055 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.793 3.578 6.366 1.00 0.00 H new ATOM 736 N SER A 52 8.554 4.102 5.068 1.00 0.00 N ATOM 737 CA SER A 52 9.829 3.399 4.978 1.00 0.00 C ATOM 738 C SER A 52 9.702 1.975 5.511 1.00 0.00 C ATOM 739 O SER A 52 9.341 1.763 6.668 1.00 0.00 O ATOM 740 CB SER A 52 10.908 4.153 5.757 1.00 0.00 C ATOM 741 OG SER A 52 11.870 3.260 6.290 1.00 0.00 O ATOM 0 H SER A 52 8.322 4.436 6.003 1.00 0.00 H new ATOM 0 HA SER A 52 10.116 3.352 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.399 4.872 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.447 4.721 6.565 1.00 0.00 H new ATOM 0 HG SER A 52 12.549 3.767 6.782 1.00 0.00 H new ATOM 747 N PHE A 53 10.002 1.002 4.657 1.00 0.00 N ATOM 748 CA PHE A 53 9.922 -0.403 5.040 1.00 0.00 C ATOM 749 C PHE A 53 11.025 -1.215 4.367 1.00 0.00 C ATOM 750 O PHE A 53 11.756 -0.704 3.518 1.00 0.00 O ATOM 751 CB PHE A 53 8.553 -0.977 4.670 1.00 0.00 C ATOM 752 CG PHE A 53 8.127 -0.655 3.266 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.460 0.526 2.984 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.395 -1.533 2.228 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.067 0.826 1.693 1.00 0.00 C ATOM 756 CE2 PHE A 53 8.005 -1.238 0.935 1.00 0.00 C ATOM 757 CZ PHE A 53 7.340 -0.057 0.667 1.00 0.00 C ATOM 0 H PHE A 53 10.303 1.161 3.695 1.00 0.00 H new ATOM 0 HA PHE A 53 10.056 -0.467 6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.576 -2.060 4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.807 -0.592 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.244 1.221 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.914 -2.458 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.547 1.750 1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.220 -1.930 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.034 0.175 -0.343 1.00 0.00 H new ATOM 767 N SER A 54 11.139 -2.481 4.753 1.00 0.00 N ATOM 768 CA SER A 54 12.155 -3.363 4.191 1.00 0.00 C ATOM 769 C SER A 54 11.514 -4.585 3.540 1.00 0.00 C ATOM 770 O SER A 54 10.531 -5.129 4.045 1.00 0.00 O ATOM 771 CB SER A 54 13.135 -3.806 5.279 1.00 0.00 C ATOM 772 OG SER A 54 13.650 -2.691 5.985 1.00 0.00 O ATOM 0 H SER A 54 10.540 -2.919 5.453 1.00 0.00 H new ATOM 0 HA SER A 54 12.699 -2.809 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.633 -4.480 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.955 -4.366 4.829 1.00 0.00 H new ATOM 0 HG SER A 54 14.272 -3.000 6.676 1.00 0.00 H new ATOM 778 N LYS A 55 12.078 -5.013 2.416 1.00 0.00 N ATOM 779 CA LYS A 55 11.565 -6.172 1.694 1.00 0.00 C ATOM 780 C LYS A 55 11.014 -7.215 2.662 1.00 0.00 C ATOM 781 O LYS A 55 11.735 -7.721 3.521 1.00 0.00 O ATOM 782 CB LYS A 55 12.668 -6.792 0.833 1.00 0.00 C ATOM 783 CG LYS A 55 12.296 -8.143 0.249 1.00 0.00 C ATOM 784 CD LYS A 55 13.437 -8.734 -0.561 1.00 0.00 C ATOM 785 CE LYS A 55 13.145 -10.169 -0.973 1.00 0.00 C ATOM 786 NZ LYS A 55 12.006 -10.250 -1.929 1.00 0.00 N ATOM 0 H LYS A 55 12.891 -4.574 1.985 1.00 0.00 H new ATOM 0 HA LYS A 55 10.754 -5.837 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.910 -6.108 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.569 -6.902 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.028 -8.827 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.416 -8.036 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.606 -8.127 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.355 -8.703 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.034 -10.604 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.919 -10.762 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.199 -10.716 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.731 -9.291 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.292 -10.799 -2.764 1.00 0.00 H new ATOM 800 N GLY A 56 9.732 -7.534 2.515 1.00 0.00 N ATOM 801 CA GLY A 56 9.107 -8.516 3.381 1.00 0.00 C ATOM 802 C GLY A 56 8.466 -7.887 4.602 1.00 0.00 C ATOM 803 O GLY A 56 8.284 -8.548 5.624 1.00 0.00 O ATOM 0 H GLY A 56 9.115 -7.129 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.351 -9.063 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.854 -9.242 3.700 1.00 0.00 H new ATOM 807 N GLN A 57 8.123 -6.607 4.496 1.00 0.00 N ATOM 808 CA GLN A 57 7.500 -5.889 5.602 1.00 0.00 C ATOM 809 C GLN A 57 5.992 -6.117 5.618 1.00 0.00 C ATOM 810 O GLN A 57 5.395 -6.460 4.597 1.00 0.00 O ATOM 811 CB GLN A 57 7.802 -4.393 5.500 1.00 0.00 C ATOM 812 CG GLN A 57 7.778 -3.676 6.840 1.00 0.00 C ATOM 813 CD GLN A 57 8.969 -4.025 7.711 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.740 -4.930 7.393 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.125 -3.306 8.816 1.00 0.00 N ATOM 0 H GLN A 57 8.266 -6.046 3.656 1.00 0.00 H new ATOM 0 HA GLN A 57 7.916 -6.273 6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.782 -4.259 5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.074 -3.928 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.759 -2.599 6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.859 -3.932 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.461 -2.565 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.909 -3.495 9.441 1.00 0.00 H new ATOM 824 N LEU A 58 5.383 -5.924 6.782 1.00 0.00 N ATOM 825 CA LEU A 58 3.943 -6.108 6.931 1.00 0.00 C ATOM 826 C LEU A 58 3.185 -4.862 6.485 1.00 0.00 C ATOM 827 O LEU A 58 3.173 -3.848 7.184 1.00 0.00 O ATOM 828 CB LEU A 58 3.599 -6.435 8.385 1.00 0.00 C ATOM 829 CG LEU A 58 2.227 -5.968 8.872 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.132 -6.473 7.945 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.979 -6.436 10.299 1.00 0.00 C ATOM 0 H LEU A 58 5.863 -5.640 7.636 1.00 0.00 H new ATOM 0 HA LEU A 58 3.641 -6.941 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.661 -7.515 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.360 -5.991 9.026 1.00 0.00 H new ATOM 0 HG LEU A 58 2.210 -4.878 8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.162 -6.131 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.300 -6.088 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.147 -7.563 7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.998 -6.094 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.016 -7.525 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.746 -6.025 10.955 1.00 0.00 H new ATOM 843 N ILE A 59 2.553 -4.946 5.320 1.00 0.00 N ATOM 844 CA ILE A 59 1.790 -3.825 4.783 1.00 0.00 C ATOM 845 C ILE A 59 0.334 -4.213 4.552 1.00 0.00 C ATOM 846 O ILE A 59 0.043 -5.243 3.945 1.00 0.00 O ATOM 847 CB ILE A 59 2.391 -3.318 3.459 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.759 -2.680 3.705 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.449 -2.325 2.795 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.572 -2.486 2.444 1.00 0.00 C ATOM 0 H ILE A 59 2.554 -5.778 4.730 1.00 0.00 H new ATOM 0 HA ILE A 59 1.838 -3.026 5.523 1.00 0.00 H new ATOM 0 HB ILE A 59 2.523 -4.168 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.618 -1.713 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.323 -3.304 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.888 -1.976 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.495 -2.810 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.288 -1.476 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.529 -2.029 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.744 -3.452 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.029 -1.837 1.757 1.00 0.00 H new ATOM 862 N ASN A 60 -0.579 -3.379 5.040 1.00 0.00 N ATOM 863 CA ASN A 60 -2.007 -3.633 4.886 1.00 0.00 C ATOM 864 C ASN A 60 -2.686 -2.489 4.138 1.00 0.00 C ATOM 865 O ASN A 60 -2.991 -1.448 4.720 1.00 0.00 O ATOM 866 CB ASN A 60 -2.663 -3.823 6.255 1.00 0.00 C ATOM 867 CG ASN A 60 -1.909 -4.809 7.125 1.00 0.00 C ATOM 868 OD1 ASN A 60 -0.843 -4.497 7.657 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.461 -6.008 7.275 1.00 0.00 N ATOM 0 H ASN A 60 -0.355 -2.522 5.545 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.127 -4.546 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.719 -2.861 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.687 -4.171 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.000 -6.713 7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.346 -6.223 6.815 1.00 0.00 H new ATOM 876 N VAL A 61 -2.920 -2.691 2.845 1.00 0.00 N ATOM 877 CA VAL A 61 -3.564 -1.678 2.018 1.00 0.00 C ATOM 878 C VAL A 61 -4.932 -1.301 2.576 1.00 0.00 C ATOM 879 O VAL A 61 -5.791 -2.159 2.773 1.00 0.00 O ATOM 880 CB VAL A 61 -3.730 -2.162 0.565 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.290 -1.049 -0.308 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.403 -2.665 0.017 1.00 0.00 C ATOM 0 H VAL A 61 -2.673 -3.547 2.348 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.916 -0.802 2.029 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.439 -2.990 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.400 -1.409 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.263 -0.741 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.609 -0.198 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.538 -3.003 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.671 -1.858 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.048 -3.495 0.628 1.00 0.00 H new ATOM 892 N MET A 62 -5.126 -0.011 2.828 1.00 0.00 N ATOM 893 CA MET A 62 -6.391 0.481 3.363 1.00 0.00 C ATOM 894 C MET A 62 -7.151 1.283 2.311 1.00 0.00 C ATOM 895 O MET A 62 -8.377 1.221 2.235 1.00 0.00 O ATOM 896 CB MET A 62 -6.145 1.345 4.601 1.00 0.00 C ATOM 897 CG MET A 62 -5.259 0.679 5.640 1.00 0.00 C ATOM 898 SD MET A 62 -4.388 1.871 6.676 1.00 0.00 S ATOM 899 CE MET A 62 -5.318 1.737 8.201 1.00 0.00 C ATOM 0 H MET A 62 -4.424 0.712 2.671 1.00 0.00 H new ATOM 0 HA MET A 62 -6.997 -0.380 3.645 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.686 2.285 4.293 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.103 1.593 5.058 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.869 0.032 6.271 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.532 0.041 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.167 2.635 8.800 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.378 1.628 7.972 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.976 0.866 8.760 1.00 0.00 H new ATOM 909 N ASN A 63 -6.413 2.036 1.501 1.00 0.00 N ATOM 910 CA ASN A 63 -7.018 2.851 0.454 1.00 0.00 C ATOM 911 C ASN A 63 -6.178 2.812 -0.819 1.00 0.00 C ATOM 912 O ASN A 63 -5.107 3.415 -0.888 1.00 0.00 O ATOM 913 CB ASN A 63 -7.176 4.296 0.930 1.00 0.00 C ATOM 914 CG ASN A 63 -8.297 5.023 0.213 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.081 5.332 -1.060 1.00 0.00 O flip ATOM 916 ND2 ASN A 63 -9.344 5.302 0.796 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.396 2.098 1.550 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.003 2.440 0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.370 4.303 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.240 4.832 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.466 5.045 1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.089 5.790 0.300 1.00 0.00 H new ATOM 923 N LYS A 64 -6.672 2.100 -1.826 1.00 0.00 N ATOM 924 CA LYS A 64 -5.969 1.983 -3.098 1.00 0.00 C ATOM 925 C LYS A 64 -6.803 2.563 -4.236 1.00 0.00 C ATOM 926 O LYS A 64 -6.882 1.982 -5.319 1.00 0.00 O ATOM 927 CB LYS A 64 -5.639 0.517 -3.390 1.00 0.00 C ATOM 928 CG LYS A 64 -6.852 -0.396 -3.365 1.00 0.00 C ATOM 929 CD LYS A 64 -6.682 -1.575 -4.309 1.00 0.00 C ATOM 930 CE LYS A 64 -5.671 -2.577 -3.771 1.00 0.00 C ATOM 931 NZ LYS A 64 -4.983 -3.313 -4.868 1.00 0.00 N ATOM 0 H LYS A 64 -7.557 1.595 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.041 2.550 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.163 0.448 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.914 0.164 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.013 -0.761 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.740 0.170 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.643 -2.068 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.357 -1.217 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.931 -2.056 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.177 -3.288 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.917 -4.321 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.524 -3.206 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.027 -2.926 -4.999 1.00 0.00 H new ATOM 945 N ASP A 65 -7.424 3.710 -3.984 1.00 0.00 N ATOM 946 CA ASP A 65 -8.250 4.369 -4.988 1.00 0.00 C ATOM 947 C ASP A 65 -7.486 4.534 -6.298 1.00 0.00 C ATOM 948 O ASP A 65 -8.075 4.508 -7.379 1.00 0.00 O ATOM 949 CB ASP A 65 -8.716 5.735 -4.480 1.00 0.00 C ATOM 950 CG ASP A 65 -7.557 6.647 -4.127 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.840 6.346 -3.150 1.00 0.00 O ATOM 952 OD2 ASP A 65 -7.367 7.662 -4.830 1.00 0.00 O ATOM 0 H ASP A 65 -7.371 4.203 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.122 3.742 -5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.331 6.213 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.347 5.597 -3.602 1.00 0.00 H new ATOM 957 N ASP A 66 -6.173 4.704 -6.193 1.00 0.00 N ATOM 958 CA ASP A 66 -5.327 4.873 -7.370 1.00 0.00 C ATOM 959 C ASP A 66 -4.456 3.641 -7.595 1.00 0.00 C ATOM 960 O ASP A 66 -3.738 3.187 -6.704 1.00 0.00 O ATOM 961 CB ASP A 66 -4.447 6.114 -7.217 1.00 0.00 C ATOM 962 CG ASP A 66 -5.256 7.395 -7.162 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.010 7.663 -8.121 1.00 0.00 O ATOM 964 OD2 ASP A 66 -5.136 8.129 -6.159 1.00 0.00 O ATOM 0 H ASP A 66 -5.671 4.729 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.975 5.001 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.852 6.024 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.748 6.165 -8.052 1.00 0.00 H new ATOM 969 N PRO A 67 -4.521 3.084 -8.813 1.00 0.00 N ATOM 970 CA PRO A 67 -3.746 1.897 -9.184 1.00 0.00 C ATOM 971 C PRO A 67 -2.253 2.189 -9.289 1.00 0.00 C ATOM 972 O PRO A 67 -1.458 1.303 -9.601 1.00 0.00 O ATOM 973 CB PRO A 67 -4.314 1.515 -10.553 1.00 0.00 C ATOM 974 CG PRO A 67 -4.858 2.787 -11.105 1.00 0.00 C ATOM 975 CD PRO A 67 -5.356 3.572 -9.924 1.00 0.00 C ATOM 0 HA PRO A 67 -3.829 1.107 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.541 1.101 -11.201 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.093 0.758 -10.461 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.088 3.339 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.664 2.592 -11.812 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.236 4.645 -10.075 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.415 3.392 -9.740 1.00 0.00 H new ATOM 983 N ASP A 68 -1.879 3.437 -9.027 1.00 0.00 N ATOM 984 CA ASP A 68 -0.481 3.846 -9.091 1.00 0.00 C ATOM 985 C ASP A 68 0.182 3.730 -7.722 1.00 0.00 C ATOM 986 O ASP A 68 1.251 3.134 -7.587 1.00 0.00 O ATOM 987 CB ASP A 68 -0.370 5.282 -9.605 1.00 0.00 C ATOM 988 CG ASP A 68 -1.483 5.638 -10.571 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.372 5.280 -11.762 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.465 6.276 -10.136 1.00 0.00 O ATOM 0 H ASP A 68 -2.525 4.183 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 68 0.035 3.180 -9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.392 5.970 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.592 5.415 -10.099 1.00 0.00 H new ATOM 995 N TRP A 69 -0.458 4.305 -6.710 1.00 0.00 N ATOM 996 CA TRP A 69 0.071 4.267 -5.351 1.00 0.00 C ATOM 997 C TRP A 69 -0.972 3.734 -4.376 1.00 0.00 C ATOM 998 O TRP A 69 -2.169 3.971 -4.542 1.00 0.00 O ATOM 999 CB TRP A 69 0.525 5.663 -4.920 1.00 0.00 C ATOM 1000 CG TRP A 69 1.900 6.016 -5.401 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.296 6.184 -6.697 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.059 6.241 -4.592 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.632 6.501 -6.743 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.123 6.543 -5.465 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.302 6.220 -3.216 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.408 6.819 -5.004 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.578 6.494 -2.761 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.617 6.791 -3.652 1.00 0.00 C ATOM 0 H TRP A 69 -1.343 4.803 -6.804 1.00 0.00 H new ATOM 0 HA TRP A 69 0.928 3.594 -5.339 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.184 6.400 -5.297 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.502 5.725 -3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.653 6.083 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.171 6.677 -7.591 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.507 5.994 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.211 7.047 -5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.777 6.479 -1.700 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.603 7.002 -3.264 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.512 3.014 -3.359 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.407 2.448 -2.356 1.00 0.00 C ATOM 1021 C TRP A 70 -0.994 2.878 -0.953 1.00 0.00 C ATOM 1022 O TRP A 70 0.169 3.198 -0.710 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.415 0.922 -2.454 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.051 0.410 -3.711 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.927 1.080 -4.518 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.862 -0.879 -4.304 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.293 0.284 -5.576 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.654 -0.923 -5.468 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.101 -2.001 -3.965 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.704 -2.044 -6.292 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.152 -3.113 -4.784 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -1.948 -3.128 -5.937 1.00 0.00 C ATOM 0 H TRP A 70 0.475 2.808 -3.207 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.412 2.823 -2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.390 0.556 -2.399 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.946 0.513 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.280 2.087 -4.349 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.937 0.549 -6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.484 -1.999 -3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.318 -2.058 -7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.568 -3.986 -4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.965 -4.012 -6.557 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.954 2.882 -0.034 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.688 3.273 1.346 1.00 0.00 C ATOM 1045 C GLN A 71 -1.790 2.073 2.281 1.00 0.00 C ATOM 1046 O GLN A 71 -2.802 1.375 2.303 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.667 4.363 1.786 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.421 4.867 3.200 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.147 6.165 3.492 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.936 6.645 2.677 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.885 6.741 4.659 1.00 0.00 N ATOM 0 H GLN A 71 -2.922 2.619 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.672 3.664 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.599 5.202 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.684 3.975 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.742 4.108 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.351 5.012 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.224 6.308 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.345 7.616 4.910 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.734 1.840 3.054 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.725 0.723 3.981 1.00 0.00 C ATOM 1062 C GLY A 72 -0.181 1.105 5.343 1.00 0.00 C ATOM 1063 O GLY A 72 0.212 2.250 5.563 1.00 0.00 O ATOM 0 H GLY A 72 0.115 2.405 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.739 0.339 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.122 -0.085 3.566 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.160 0.143 6.261 1.00 0.00 N ATOM 1068 CA GLU A 73 0.338 0.387 7.610 1.00 0.00 C ATOM 1069 C GLU A 73 1.411 -0.631 7.986 1.00 0.00 C ATOM 1070 O GLU A 73 1.492 -1.709 7.397 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.811 0.329 8.619 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.427 -1.052 8.763 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.131 -1.242 10.092 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.592 -0.235 10.669 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.221 -2.398 10.555 1.00 0.00 O ATOM 0 H GLU A 73 -0.481 -0.811 6.095 1.00 0.00 H new ATOM 0 HA GLU A 73 0.782 1.382 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.446 0.658 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.586 1.033 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.138 -1.215 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.647 -1.806 8.658 1.00 0.00 H new ATOM 1082 N ILE A 74 2.232 -0.280 8.970 1.00 0.00 N ATOM 1083 CA ILE A 74 3.300 -1.162 9.424 1.00 0.00 C ATOM 1084 C ILE A 74 3.675 -0.870 10.873 1.00 0.00 C ATOM 1085 O ILE A 74 4.337 0.125 11.165 1.00 0.00 O ATOM 1086 CB ILE A 74 4.556 -1.027 8.543 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.159 -0.855 7.076 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.457 -2.241 8.715 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.330 -0.555 6.165 1.00 0.00 C ATOM 0 H ILE A 74 2.178 0.609 9.468 1.00 0.00 H new ATOM 0 HA ILE A 74 2.921 -2.181 9.347 1.00 0.00 H new ATOM 0 HB ILE A 74 5.109 -0.142 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.665 -1.764 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.431 -0.047 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.340 -2.131 8.086 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.762 -2.323 9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.915 -3.141 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.975 -0.445 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.811 0.370 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.048 -1.373 6.215 1.00 0.00 H new ATOM 1101 N ASN A 75 3.248 -1.746 11.777 1.00 0.00 N ATOM 1102 CA ASN A 75 3.540 -1.582 13.197 1.00 0.00 C ATOM 1103 C ASN A 75 2.969 -0.269 13.722 1.00 0.00 C ATOM 1104 O ASN A 75 3.662 0.500 14.388 1.00 0.00 O ATOM 1105 CB ASN A 75 5.050 -1.626 13.437 1.00 0.00 C ATOM 1106 CG ASN A 75 5.574 -3.044 13.566 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.979 -3.471 14.647 1.00 0.00 O ATOM 1108 ND2 ASN A 75 5.568 -3.780 12.461 1.00 0.00 N ATOM 0 H ASN A 75 2.699 -2.576 11.552 1.00 0.00 H new ATOM 0 HA ASN A 75 3.069 -2.404 13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.561 -1.126 12.614 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.287 -1.070 14.344 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.908 -4.741 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.223 -3.384 11.587 1.00 0.00 H new ATOM 1115 N GLY A 76 1.699 -0.018 13.418 1.00 0.00 N ATOM 1116 CA GLY A 76 1.056 1.203 13.867 1.00 0.00 C ATOM 1117 C GLY A 76 1.540 2.425 13.113 1.00 0.00 C ATOM 1118 O GLY A 76 1.234 3.557 13.488 1.00 0.00 O ATOM 0 H GLY A 76 1.104 -0.639 12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.023 1.108 13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.245 1.339 14.932 1.00 0.00 H new ATOM 1122 N VAL A 77 2.300 2.198 12.046 1.00 0.00 N ATOM 1123 CA VAL A 77 2.829 3.290 11.237 1.00 0.00 C ATOM 1124 C VAL A 77 2.114 3.374 9.893 1.00 0.00 C ATOM 1125 O VAL A 77 1.773 2.354 9.293 1.00 0.00 O ATOM 1126 CB VAL A 77 4.341 3.126 10.993 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.594 2.307 9.736 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.015 4.487 10.897 1.00 0.00 C ATOM 0 H VAL A 77 2.563 1.267 11.722 1.00 0.00 H new ATOM 0 HA VAL A 77 2.657 4.210 11.795 1.00 0.00 H new ATOM 0 HB VAL A 77 4.772 2.591 11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.668 2.202 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.145 1.320 9.848 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.150 2.812 8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.083 4.353 10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.582 5.050 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.864 5.034 11.827 1.00 0.00 H new ATOM 1138 N THR A 78 1.890 4.597 9.423 1.00 0.00 N ATOM 1139 CA THR A 78 1.216 4.815 8.150 1.00 0.00 C ATOM 1140 C THR A 78 2.031 5.732 7.246 1.00 0.00 C ATOM 1141 O THR A 78 2.758 6.603 7.721 1.00 0.00 O ATOM 1142 CB THR A 78 -0.184 5.426 8.353 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.092 6.602 9.166 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.122 4.424 9.008 1.00 0.00 C ATOM 0 H THR A 78 2.166 5.452 9.906 1.00 0.00 H new ATOM 0 HA THR A 78 1.114 3.839 7.676 1.00 0.00 H new ATOM 0 HB THR A 78 -0.586 5.691 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.985 6.985 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.104 4.878 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.213 3.542 8.374 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.722 4.133 9.979 1.00 0.00 H new ATOM 1152 N GLY A 79 1.906 5.530 5.937 1.00 0.00 N ATOM 1153 CA GLY A 79 2.637 6.346 4.987 1.00 0.00 C ATOM 1154 C GLY A 79 2.115 6.197 3.572 1.00 0.00 C ATOM 1155 O GLY A 79 0.952 5.849 3.364 1.00 0.00 O ATOM 0 H GLY A 79 1.311 4.815 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.573 7.392 5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.692 6.071 5.013 1.00 0.00 H new ATOM 1159 N LEU A 80 2.975 6.462 2.594 1.00 0.00 N ATOM 1160 CA LEU A 80 2.594 6.357 1.190 1.00 0.00 C ATOM 1161 C LEU A 80 3.640 5.579 0.399 1.00 0.00 C ATOM 1162 O LEU A 80 4.842 5.776 0.577 1.00 0.00 O ATOM 1163 CB LEU A 80 2.413 7.750 0.585 1.00 0.00 C ATOM 1164 CG LEU A 80 1.142 8.498 0.990 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.166 9.921 0.453 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.093 7.759 0.492 1.00 0.00 C ATOM 0 H LEU A 80 3.941 6.751 2.748 1.00 0.00 H new ATOM 0 HA LEU A 80 1.648 5.818 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.273 8.359 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.425 7.657 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 80 1.101 8.543 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.254 10.438 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.030 10.448 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.231 9.898 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.988 8.305 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.058 7.683 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.118 6.759 0.925 1.00 0.00 H new ATOM 1178 N PHE A 81 3.174 4.694 -0.477 1.00 0.00 N ATOM 1179 CA PHE A 81 4.069 3.886 -1.297 1.00 0.00 C ATOM 1180 C PHE A 81 3.379 3.446 -2.584 1.00 0.00 C ATOM 1181 O PHE A 81 2.155 3.327 -2.653 1.00 0.00 O ATOM 1182 CB PHE A 81 4.545 2.660 -0.515 1.00 0.00 C ATOM 1183 CG PHE A 81 3.423 1.857 0.079 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.507 1.213 -0.736 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.286 1.746 1.454 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.474 0.472 -0.192 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.255 1.007 2.003 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.348 0.370 1.179 1.00 0.00 C ATOM 0 H PHE A 81 2.182 4.519 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 81 4.932 4.498 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.128 2.020 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.212 2.985 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.601 1.290 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.992 2.242 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.767 -0.026 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.159 0.928 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.541 -0.207 1.607 1.00 0.00 H new ATOM 1198 N PRO A 82 4.180 3.199 -3.631 1.00 0.00 N ATOM 1199 CA PRO A 82 3.669 2.768 -4.935 1.00 0.00 C ATOM 1200 C PRO A 82 3.113 1.348 -4.900 1.00 0.00 C ATOM 1201 O PRO A 82 3.623 0.490 -4.180 1.00 0.00 O ATOM 1202 CB PRO A 82 4.902 2.837 -5.840 1.00 0.00 C ATOM 1203 CG PRO A 82 6.059 2.676 -4.916 1.00 0.00 C ATOM 1204 CD PRO A 82 5.648 3.320 -3.621 1.00 0.00 C ATOM 0 HA PRO A 82 2.840 3.389 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.885 2.050 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.950 3.787 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.298 1.623 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.952 3.152 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.087 2.812 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.965 4.362 -3.572 1.00 0.00 H new ATOM 1212 N SER A 83 2.066 1.108 -5.683 1.00 0.00 N ATOM 1213 CA SER A 83 1.439 -0.207 -5.739 1.00 0.00 C ATOM 1214 C SER A 83 2.295 -1.183 -6.540 1.00 0.00 C ATOM 1215 O SER A 83 1.895 -2.321 -6.784 1.00 0.00 O ATOM 1216 CB SER A 83 0.045 -0.105 -6.359 1.00 0.00 C ATOM 1217 OG SER A 83 0.113 0.382 -7.688 1.00 0.00 O ATOM 0 H SER A 83 1.634 1.807 -6.287 1.00 0.00 H new ATOM 0 HA SER A 83 1.348 -0.583 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.433 -1.085 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.577 0.557 -5.757 1.00 0.00 H new ATOM 0 HG SER A 83 -0.793 0.479 -8.048 1.00 0.00 H new ATOM 1223 N ASN A 84 3.476 -0.729 -6.947 1.00 0.00 N ATOM 1224 CA ASN A 84 4.389 -1.561 -7.722 1.00 0.00 C ATOM 1225 C ASN A 84 5.535 -2.067 -6.851 1.00 0.00 C ATOM 1226 O ASN A 84 6.429 -2.767 -7.328 1.00 0.00 O ATOM 1227 CB ASN A 84 4.946 -0.774 -8.910 1.00 0.00 C ATOM 1228 CG ASN A 84 5.052 0.711 -8.621 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.064 1.441 -8.693 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.256 1.164 -8.292 1.00 0.00 N ATOM 0 H ASN A 84 3.823 0.210 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 84 3.831 -2.420 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.931 -1.162 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.304 -0.928 -9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.390 2.154 -8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.047 0.522 -8.245 1.00 0.00 H new ATOM 1237 N TYR A 85 5.502 -1.709 -5.573 1.00 0.00 N ATOM 1238 CA TYR A 85 6.539 -2.125 -4.635 1.00 0.00 C ATOM 1239 C TYR A 85 5.981 -3.104 -3.606 1.00 0.00 C ATOM 1240 O TYR A 85 6.586 -3.332 -2.558 1.00 0.00 O ATOM 1241 CB TYR A 85 7.134 -0.907 -3.928 1.00 0.00 C ATOM 1242 CG TYR A 85 8.326 -0.313 -4.645 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.171 0.361 -5.850 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.606 -0.424 -4.116 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.257 0.904 -6.509 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.697 0.118 -4.767 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.518 0.781 -5.963 1.00 0.00 C ATOM 1248 OH TYR A 85 11.602 1.322 -6.615 1.00 0.00 O ATOM 0 H TYR A 85 4.769 -1.132 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 85 7.324 -2.628 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.363 -0.143 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.433 -1.193 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.185 0.462 -6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.750 -0.943 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.120 1.422 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.685 0.023 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 85 12.416 1.148 -6.097 1.00 0.00 H new ATOM 1258 N VAL A 86 4.823 -3.679 -3.912 1.00 0.00 N ATOM 1259 CA VAL A 86 4.183 -4.635 -3.016 1.00 0.00 C ATOM 1260 C VAL A 86 3.549 -5.780 -3.796 1.00 0.00 C ATOM 1261 O VAL A 86 3.113 -5.605 -4.935 1.00 0.00 O ATOM 1262 CB VAL A 86 3.104 -3.957 -2.151 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.723 -2.883 -1.269 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.008 -3.372 -3.029 1.00 0.00 C ATOM 0 H VAL A 86 4.308 -3.500 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 86 4.963 -5.031 -2.366 1.00 0.00 H new ATOM 0 HB VAL A 86 2.656 -4.710 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.945 -2.415 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.468 -3.335 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.200 -2.128 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.254 -2.897 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.438 -2.631 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.545 -4.168 -3.612 1.00 0.00 H new ATOM 1274 N LYS A 87 3.498 -6.954 -3.176 1.00 0.00 N ATOM 1275 CA LYS A 87 2.915 -8.131 -3.811 1.00 0.00 C ATOM 1276 C LYS A 87 1.840 -8.751 -2.923 1.00 0.00 C ATOM 1277 O LYS A 87 2.090 -9.071 -1.762 1.00 0.00 O ATOM 1278 CB LYS A 87 4.002 -9.165 -4.112 1.00 0.00 C ATOM 1279 CG LYS A 87 3.454 -10.536 -4.468 1.00 0.00 C ATOM 1280 CD LYS A 87 2.921 -10.572 -5.891 1.00 0.00 C ATOM 1281 CE LYS A 87 4.004 -10.972 -6.882 1.00 0.00 C ATOM 1282 NZ LYS A 87 4.058 -12.447 -7.077 1.00 0.00 N ATOM 0 H LYS A 87 3.853 -7.116 -2.234 1.00 0.00 H new ATOM 0 HA LYS A 87 2.452 -7.817 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.618 -8.804 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.654 -9.258 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.239 -11.283 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.657 -10.802 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.092 -11.277 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.526 -9.592 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.818 -10.485 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.971 -10.617 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.808 -12.680 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.260 -12.910 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.143 -12.783 -7.440 1.00 0.00 H new ATOM 1296 N MET A 88 0.644 -8.917 -3.479 1.00 0.00 N ATOM 1297 CA MET A 88 -0.467 -9.502 -2.738 1.00 0.00 C ATOM 1298 C MET A 88 -0.067 -10.838 -2.122 1.00 0.00 C ATOM 1299 O MET A 88 0.112 -11.831 -2.828 1.00 0.00 O ATOM 1300 CB MET A 88 -1.676 -9.692 -3.656 1.00 0.00 C ATOM 1301 CG MET A 88 -2.440 -8.406 -3.930 1.00 0.00 C ATOM 1302 SD MET A 88 -3.671 -8.046 -2.663 1.00 0.00 S ATOM 1303 CE MET A 88 -4.643 -6.785 -3.484 1.00 0.00 C ATOM 0 H MET A 88 0.420 -8.655 -4.439 1.00 0.00 H new ATOM 0 HA MET A 88 -0.735 -8.817 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.340 -10.114 -4.603 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.353 -10.418 -3.206 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.736 -7.576 -3.993 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.933 -8.480 -4.899 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.971 -6.045 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.036 -6.297 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.514 -7.244 -3.952 1.00 0.00 H new ATOM 1313 N THR A 89 0.072 -10.857 -0.799 1.00 0.00 N ATOM 1314 CA THR A 89 0.453 -12.071 -0.088 1.00 0.00 C ATOM 1315 C THR A 89 -0.381 -13.262 -0.548 1.00 0.00 C ATOM 1316 O THR A 89 0.138 -14.364 -0.728 1.00 0.00 O ATOM 1317 CB THR A 89 0.293 -11.904 1.434 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.074 -11.620 1.755 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.183 -10.784 1.952 1.00 0.00 C ATOM 0 H THR A 89 -0.074 -10.045 -0.199 1.00 0.00 H new ATOM 0 HA THR A 89 1.503 -12.256 -0.317 1.00 0.00 H new ATOM 0 HB THR A 89 0.592 -12.836 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.278 -10.690 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.053 -10.685 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.225 -11.016 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.910 -9.848 1.466 1.00 0.00 H new ATOM 1327 N THR A 90 -1.677 -13.033 -0.737 1.00 0.00 N ATOM 1328 CA THR A 90 -2.583 -14.087 -1.175 1.00 0.00 C ATOM 1329 C THR A 90 -2.593 -15.249 -0.188 1.00 0.00 C ATOM 1330 O THR A 90 -2.629 -16.414 -0.586 1.00 0.00 O ATOM 1331 CB THR A 90 -2.197 -14.616 -2.570 1.00 0.00 C ATOM 1332 OG1 THR A 90 -1.942 -13.521 -3.456 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.301 -15.492 -3.141 1.00 0.00 C ATOM 0 H THR A 90 -2.122 -12.127 -0.593 1.00 0.00 H new ATOM 0 HA THR A 90 -3.579 -13.647 -1.224 1.00 0.00 H new ATOM 0 HB THR A 90 -1.294 -15.218 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.121 -13.062 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.006 -15.854 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.471 -16.341 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.219 -14.910 -3.228 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.561 -14.925 1.100 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.568 -15.943 2.144 1.00 0.00 C ATOM 1343 C ASP A 91 -3.679 -16.961 1.903 1.00 0.00 C ATOM 1344 O ASP A 91 -3.448 -18.169 1.954 1.00 0.00 O ATOM 1345 CB ASP A 91 -2.744 -15.293 3.517 1.00 0.00 C ATOM 1346 CG ASP A 91 -2.014 -13.969 3.629 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -0.767 -13.983 3.690 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -2.690 -12.919 3.657 1.00 0.00 O ATOM 0 H ASP A 91 -2.530 -13.966 1.446 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.611 -16.464 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.806 -15.136 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.378 -15.972 4.287 1.00 0.00 H new ATOM 1353 N SER A 92 -4.884 -16.464 1.642 1.00 0.00 N ATOM 1354 CA SER A 92 -6.031 -17.330 1.398 1.00 0.00 C ATOM 1355 C SER A 92 -6.333 -17.425 -0.094 1.00 0.00 C ATOM 1356 O SER A 92 -6.358 -16.416 -0.799 1.00 0.00 O ATOM 1357 CB SER A 92 -7.259 -16.808 2.146 1.00 0.00 C ATOM 1358 OG SER A 92 -7.101 -16.949 3.547 1.00 0.00 O ATOM 0 H SER A 92 -5.091 -15.466 1.594 1.00 0.00 H new ATOM 0 HA SER A 92 -5.787 -18.327 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.420 -15.759 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.146 -17.352 1.820 1.00 0.00 H new ATOM 0 HG SER A 92 -7.898 -16.607 4.002 1.00 0.00 H new ATOM 1364 N SER A 93 -6.561 -18.645 -0.569 1.00 0.00 N ATOM 1365 CA SER A 93 -6.857 -18.874 -1.979 1.00 0.00 C ATOM 1366 C SER A 93 -8.359 -19.028 -2.200 1.00 0.00 C ATOM 1367 O SER A 93 -9.073 -19.554 -1.347 1.00 0.00 O ATOM 1368 CB SER A 93 -6.126 -20.121 -2.480 1.00 0.00 C ATOM 1369 OG SER A 93 -4.843 -19.792 -2.985 1.00 0.00 O ATOM 0 H SER A 93 -6.547 -19.490 0.002 1.00 0.00 H new ATOM 0 HA SER A 93 -6.511 -18.008 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.027 -20.840 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.715 -20.603 -3.261 1.00 0.00 H new ATOM 0 HG SER A 93 -4.396 -20.606 -3.297 1.00 0.00 H new ATOM 1375 N GLY A 94 -8.831 -18.565 -3.353 1.00 0.00 N ATOM 1376 CA GLY A 94 -10.245 -18.660 -3.667 1.00 0.00 C ATOM 1377 C GLY A 94 -11.106 -17.856 -2.714 1.00 0.00 C ATOM 1378 O GLY A 94 -10.842 -17.786 -1.514 1.00 0.00 O ATOM 0 H GLY A 94 -8.260 -18.126 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.412 -18.310 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.552 -19.705 -3.635 1.00 0.00 H new ATOM 1382 N PRO A 95 -12.163 -17.228 -3.251 1.00 0.00 N ATOM 1383 CA PRO A 95 -13.086 -16.412 -2.457 1.00 0.00 C ATOM 1384 C PRO A 95 -13.941 -17.254 -1.516 1.00 0.00 C ATOM 1385 O PRO A 95 -14.104 -18.457 -1.719 1.00 0.00 O ATOM 1386 CB PRO A 95 -13.963 -15.738 -3.516 1.00 0.00 C ATOM 1387 CG PRO A 95 -13.910 -16.652 -4.690 1.00 0.00 C ATOM 1388 CD PRO A 95 -12.538 -17.268 -4.675 1.00 0.00 C ATOM 0 HA PRO A 95 -12.558 -15.711 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.985 -15.610 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.587 -14.747 -3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.682 -17.418 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.082 -16.106 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.551 -18.288 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.837 -16.704 -5.291 1.00 0.00 H new ATOM 1396 N SER A 96 -14.484 -16.613 -0.486 1.00 0.00 N ATOM 1397 CA SER A 96 -15.320 -17.304 0.490 1.00 0.00 C ATOM 1398 C SER A 96 -16.503 -17.984 -0.193 1.00 0.00 C ATOM 1399 O SER A 96 -17.204 -17.371 -0.998 1.00 0.00 O ATOM 1400 CB SER A 96 -15.823 -16.322 1.549 1.00 0.00 C ATOM 1401 OG SER A 96 -16.126 -16.990 2.761 1.00 0.00 O ATOM 0 H SER A 96 -14.360 -15.617 -0.305 1.00 0.00 H new ATOM 0 HA SER A 96 -14.713 -18.069 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.066 -15.559 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.712 -15.809 1.181 1.00 0.00 H new ATOM 0 HG SER A 96 -16.444 -16.340 3.422 1.00 0.00 H new ATOM 1407 N SER A 97 -16.718 -19.253 0.135 1.00 0.00 N ATOM 1408 CA SER A 97 -17.814 -20.019 -0.448 1.00 0.00 C ATOM 1409 C SER A 97 -18.896 -20.296 0.590 1.00 0.00 C ATOM 1410 O SER A 97 -18.863 -21.314 1.281 1.00 0.00 O ATOM 1411 CB SER A 97 -17.293 -21.337 -1.024 1.00 0.00 C ATOM 1412 OG SER A 97 -18.240 -21.920 -1.902 1.00 0.00 O ATOM 0 H SER A 97 -16.148 -19.773 0.802 1.00 0.00 H new ATOM 0 HA SER A 97 -18.251 -19.427 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.359 -21.160 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 97 -17.071 -22.030 -0.212 1.00 0.00 H new ATOM 0 HG SER A 97 -17.882 -22.760 -2.258 1.00 0.00 H new ATOM 1418 N GLY A 98 -19.856 -19.382 0.694 1.00 0.00 N ATOM 1419 CA GLY A 98 -20.935 -19.545 1.651 1.00 0.00 C ATOM 1420 C GLY A 98 -20.929 -18.472 2.721 1.00 0.00 C ATOM 1421 O GLY A 98 -20.764 -18.768 3.905 1.00 0.00 O ATOM 0 H GLY A 98 -19.906 -18.532 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.889 -19.523 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -20.853 -20.524 2.123 1.00 0.00 H new TER 1425 GLY A 98