USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 836 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 : amide:sc= -6.87! C(o=-14!,f=-17!) USER MOD Set 1.2: A 92 ASN : amide:sc= -2.23! C(o=-14!,f=-21!) USER MOD Set 1.3: A 94 HIS : no HD1:sc= -5.14! C(o=-14!,f=-12!) USER MOD Set 2.1: A 40 THR OG1 : rot -75:sc= 1.06 USER MOD Set 2.2: A 51 TYR OH : rot 165:sc= 0.807 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.148 K(o=2,f=0.66) USER MOD Set 3.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 64 GLN : amide:sc= -1.99 K(o=-2,f=-4.1!) USER MOD Set 4.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 33 SER OG : rot 180:sc= -0.952 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0475 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 11 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 12 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.7) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.783 K(o=-0.78,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.0112 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 17:sc= 0.217 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0177 K(o=-0.018,f=-1.5!) USER MOD Single : A 50 ASN : amide:sc= -0.481 K(o=-0.48,f=-4.5!) USER MOD Single : A 56 MET CE :methyl 175:sc= 0 (180deg=-0.0163) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 95:sc= 0.634 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.566 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 57:sc= 1.1 USER MOD Single : A 84 TYR OH : rot 75:sc= 0.391 USER MOD Single : A 85 SER OG : rot 110:sc= -0.893 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -110:sc= -0.23 USER MOD Single : A 100 THR OG1 : rot -85:sc= 2.05 USER MOD Single : A 107 THR OG1 : rot 140:sc= 0.182 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.567 -25.351 13.071 1.00 0.00 N ATOM 2 CA GLY A 1 -3.590 -25.846 12.119 1.00 0.00 C ATOM 3 C GLY A 1 -2.350 -24.977 12.057 1.00 0.00 C ATOM 4 O GLY A 1 -2.395 -23.793 12.392 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.543 -25.937 13.930 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.343 -24.366 13.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.516 -25.394 12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.305 -26.862 12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.044 -25.897 11.130 1.00 0.00 H new ATOM 8 N SER A 2 -1.237 -25.565 11.630 1.00 0.00 N ATOM 9 CA SER A 2 0.023 -24.838 11.531 1.00 0.00 C ATOM 10 C SER A 2 0.471 -24.723 10.077 1.00 0.00 C ATOM 11 O SER A 2 0.688 -23.624 9.568 1.00 0.00 O ATOM 12 CB SER A 2 1.105 -25.536 12.357 1.00 0.00 C ATOM 13 OG SER A 2 2.386 -24.998 12.078 1.00 0.00 O ATOM 0 H SER A 2 -1.182 -26.543 11.347 1.00 0.00 H new ATOM 0 HA SER A 2 -0.133 -23.834 11.925 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.884 -25.426 13.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.100 -26.604 12.140 1.00 0.00 H new ATOM 0 HG SER A 2 3.060 -25.460 12.619 1.00 0.00 H new ATOM 19 N SER A 3 0.608 -25.868 9.414 1.00 0.00 N ATOM 20 CA SER A 3 1.034 -25.897 8.020 1.00 0.00 C ATOM 21 C SER A 3 2.434 -25.309 7.867 1.00 0.00 C ATOM 22 O SER A 3 2.706 -24.561 6.929 1.00 0.00 O ATOM 23 CB SER A 3 0.045 -25.124 7.146 1.00 0.00 C ATOM 24 OG SER A 3 -1.213 -25.775 7.100 1.00 0.00 O ATOM 0 H SER A 3 0.430 -26.787 9.820 1.00 0.00 H new ATOM 0 HA SER A 3 1.059 -26.937 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.079 -24.114 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.445 -25.028 6.137 1.00 0.00 H new ATOM 0 HG SER A 3 -1.827 -25.260 6.536 1.00 0.00 H new ATOM 30 N GLY A 4 3.319 -25.654 8.798 1.00 0.00 N ATOM 31 CA GLY A 4 4.679 -25.152 8.750 1.00 0.00 C ATOM 32 C GLY A 4 5.238 -25.125 7.341 1.00 0.00 C ATOM 33 O GLY A 4 5.590 -26.166 6.785 1.00 0.00 O ATOM 0 H GLY A 4 3.118 -26.272 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.706 -24.146 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.315 -25.775 9.378 1.00 0.00 H new ATOM 37 N SER A 5 5.318 -23.932 6.760 1.00 0.00 N ATOM 38 CA SER A 5 5.833 -23.774 5.405 1.00 0.00 C ATOM 39 C SER A 5 5.985 -22.298 5.050 1.00 0.00 C ATOM 40 O SER A 5 5.170 -21.466 5.447 1.00 0.00 O ATOM 41 CB SER A 5 4.903 -24.459 4.401 1.00 0.00 C ATOM 42 OG SER A 5 5.385 -24.311 3.076 1.00 0.00 O ATOM 0 H SER A 5 5.033 -23.061 7.207 1.00 0.00 H new ATOM 0 HA SER A 5 6.816 -24.243 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.817 -25.518 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.903 -24.032 4.477 1.00 0.00 H new ATOM 0 HG SER A 5 4.774 -24.759 2.454 1.00 0.00 H new ATOM 48 N SER A 6 7.036 -21.982 4.299 1.00 0.00 N ATOM 49 CA SER A 6 7.298 -20.607 3.893 1.00 0.00 C ATOM 50 C SER A 6 6.352 -20.180 2.775 1.00 0.00 C ATOM 51 O SER A 6 5.515 -19.297 2.957 1.00 0.00 O ATOM 52 CB SER A 6 8.750 -20.457 3.433 1.00 0.00 C ATOM 53 OG SER A 6 9.627 -20.349 4.541 1.00 0.00 O ATOM 0 H SER A 6 7.719 -22.660 3.960 1.00 0.00 H new ATOM 0 HA SER A 6 7.128 -19.961 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.032 -21.316 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.846 -19.573 2.802 1.00 0.00 H new ATOM 0 HG SER A 6 10.549 -20.256 4.221 1.00 0.00 H new ATOM 59 N GLY A 7 6.492 -20.816 1.615 1.00 0.00 N ATOM 60 CA GLY A 7 5.644 -20.489 0.483 1.00 0.00 C ATOM 61 C GLY A 7 6.315 -19.539 -0.489 1.00 0.00 C ATOM 62 O GLY A 7 7.321 -19.883 -1.109 1.00 0.00 O ATOM 0 H GLY A 7 7.177 -21.551 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.371 -21.406 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.718 -20.041 0.844 1.00 0.00 H new ATOM 66 N ARG A 8 5.756 -18.341 -0.624 1.00 0.00 N ATOM 67 CA ARG A 8 6.305 -17.339 -1.530 1.00 0.00 C ATOM 68 C ARG A 8 7.830 -17.397 -1.544 1.00 0.00 C ATOM 69 O ARG A 8 8.455 -17.812 -0.568 1.00 0.00 O ATOM 70 CB ARG A 8 5.840 -15.941 -1.120 1.00 0.00 C ATOM 71 CG ARG A 8 4.481 -15.926 -0.439 1.00 0.00 C ATOM 72 CD ARG A 8 4.611 -16.083 1.068 1.00 0.00 C ATOM 73 NE ARG A 8 5.806 -16.835 1.439 1.00 0.00 N ATOM 74 CZ ARG A 8 6.967 -16.266 1.744 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.088 -14.946 1.722 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.010 -17.018 2.071 1.00 0.00 N ATOM 0 H ARG A 8 4.923 -18.040 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 8 5.941 -17.555 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.579 -15.504 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.800 -15.306 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.970 -14.990 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.864 -16.731 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.644 -15.098 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.728 -16.590 1.457 1.00 0.00 H new ATOM 0 HE ARG A 8 5.746 -17.853 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.288 -14.365 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.981 -14.512 1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.921 -18.034 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.901 -16.580 2.305 1.00 0.00 H new ATOM 90 N VAL A 9 8.423 -16.977 -2.657 1.00 0.00 N ATOM 91 CA VAL A 9 9.874 -16.979 -2.798 1.00 0.00 C ATOM 92 C VAL A 9 10.407 -15.568 -3.016 1.00 0.00 C ATOM 93 O VAL A 9 9.638 -14.615 -3.136 1.00 0.00 O ATOM 94 CB VAL A 9 10.322 -17.873 -3.970 1.00 0.00 C ATOM 95 CG1 VAL A 9 9.940 -19.322 -3.713 1.00 0.00 C ATOM 96 CG2 VAL A 9 9.720 -17.378 -5.277 1.00 0.00 C ATOM 0 H VAL A 9 7.921 -16.631 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 9 10.282 -17.378 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 9 11.408 -17.818 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.265 -19.938 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.423 -19.669 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.858 -19.399 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.047 -18.021 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.632 -17.402 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.049 -16.356 -5.465 1.00 0.00 H new ATOM 106 N GLU A 10 11.730 -15.442 -3.067 1.00 0.00 N ATOM 107 CA GLU A 10 12.366 -14.146 -3.271 1.00 0.00 C ATOM 108 C GLU A 10 12.763 -13.959 -4.732 1.00 0.00 C ATOM 109 O GLU A 10 12.779 -14.913 -5.511 1.00 0.00 O ATOM 110 CB GLU A 10 13.599 -14.012 -2.374 1.00 0.00 C ATOM 111 CG GLU A 10 13.296 -13.420 -1.008 1.00 0.00 C ATOM 112 CD GLU A 10 12.898 -14.472 0.009 1.00 0.00 C ATOM 113 OE1 GLU A 10 13.402 -15.611 -0.087 1.00 0.00 O ATOM 114 OE2 GLU A 10 12.084 -14.157 0.901 1.00 0.00 O ATOM 0 H GLU A 10 12.381 -16.221 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 10 11.647 -13.371 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.051 -14.995 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.337 -13.387 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.173 -12.884 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.493 -12.690 -1.103 1.00 0.00 H new ATOM 121 N THR A 11 13.084 -12.722 -5.098 1.00 0.00 N ATOM 122 CA THR A 11 13.480 -12.408 -6.465 1.00 0.00 C ATOM 123 C THR A 11 14.365 -11.167 -6.510 1.00 0.00 C ATOM 124 O THR A 11 14.261 -10.289 -5.654 1.00 0.00 O ATOM 125 CB THR A 11 12.252 -12.182 -7.368 1.00 0.00 C ATOM 126 OG1 THR A 11 11.347 -13.285 -7.249 1.00 0.00 O ATOM 127 CG2 THR A 11 12.672 -12.018 -8.821 1.00 0.00 C ATOM 0 H THR A 11 13.077 -11.921 -4.466 1.00 0.00 H new ATOM 0 HA THR A 11 14.042 -13.265 -6.836 1.00 0.00 H new ATOM 0 HB THR A 11 11.754 -11.268 -7.045 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.569 -13.133 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.789 -11.860 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.338 -11.160 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.191 -12.917 -9.153 1.00 0.00 H new ATOM 135 N GLN A 12 15.233 -11.101 -7.514 1.00 0.00 N ATOM 136 CA GLN A 12 16.136 -9.966 -7.670 1.00 0.00 C ATOM 137 C GLN A 12 15.617 -8.999 -8.728 1.00 0.00 C ATOM 138 O GLN A 12 15.582 -9.305 -9.920 1.00 0.00 O ATOM 139 CB GLN A 12 17.537 -10.450 -8.047 1.00 0.00 C ATOM 140 CG GLN A 12 18.200 -11.293 -6.969 1.00 0.00 C ATOM 141 CD GLN A 12 17.813 -12.756 -7.052 1.00 0.00 C ATOM 142 OE1 GLN A 12 16.822 -13.182 -6.459 1.00 0.00 O ATOM 143 NE2 GLN A 12 18.596 -13.535 -7.789 1.00 0.00 N ATOM 0 H GLN A 12 15.330 -11.819 -8.231 1.00 0.00 H new ATOM 0 HA GLN A 12 16.186 -9.440 -6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.476 -11.033 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.166 -9.586 -8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.283 -11.202 -7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.926 -10.904 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.408 -13.140 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.386 -14.529 -7.881 1.00 0.00 H new ATOM 152 N PRO A 13 15.202 -7.803 -8.285 1.00 0.00 N ATOM 153 CA PRO A 13 14.677 -6.766 -9.178 1.00 0.00 C ATOM 154 C PRO A 13 15.759 -6.169 -10.072 1.00 0.00 C ATOM 155 O PRO A 13 16.912 -6.599 -10.038 1.00 0.00 O ATOM 156 CB PRO A 13 14.136 -5.707 -8.214 1.00 0.00 C ATOM 157 CG PRO A 13 14.922 -5.898 -6.962 1.00 0.00 C ATOM 158 CD PRO A 13 15.214 -7.370 -6.877 1.00 0.00 C ATOM 0 HA PRO A 13 13.927 -7.161 -9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.268 -4.702 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.069 -5.842 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.845 -5.318 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.358 -5.561 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.178 -7.562 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.462 -7.895 -6.289 1.00 0.00 H new ATOM 166 N GLU A 14 15.379 -5.176 -10.870 1.00 0.00 N ATOM 167 CA GLU A 14 16.319 -4.521 -11.773 1.00 0.00 C ATOM 168 C GLU A 14 16.975 -3.320 -11.099 1.00 0.00 C ATOM 169 O GLU A 14 16.762 -3.067 -9.913 1.00 0.00 O ATOM 170 CB GLU A 14 15.605 -4.076 -13.051 1.00 0.00 C ATOM 171 CG GLU A 14 15.462 -5.180 -14.085 1.00 0.00 C ATOM 172 CD GLU A 14 14.413 -6.205 -13.703 1.00 0.00 C ATOM 173 OE1 GLU A 14 14.758 -7.170 -12.989 1.00 0.00 O ATOM 174 OE2 GLU A 14 13.246 -6.042 -14.116 1.00 0.00 O ATOM 0 H GLU A 14 14.429 -4.808 -10.910 1.00 0.00 H new ATOM 0 HA GLU A 14 17.097 -5.240 -12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.614 -3.702 -12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.154 -3.245 -13.493 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.201 -4.740 -15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.422 -5.679 -14.213 1.00 0.00 H new ATOM 181 N VAL A 15 17.775 -2.583 -11.863 1.00 0.00 N ATOM 182 CA VAL A 15 18.462 -1.409 -11.341 1.00 0.00 C ATOM 183 C VAL A 15 17.778 -0.124 -11.795 1.00 0.00 C ATOM 184 O VAL A 15 17.717 0.854 -11.051 1.00 0.00 O ATOM 185 CB VAL A 15 19.936 -1.377 -11.785 1.00 0.00 C ATOM 186 CG1 VAL A 15 20.669 -2.617 -11.296 1.00 0.00 C ATOM 187 CG2 VAL A 15 20.034 -1.253 -13.298 1.00 0.00 C ATOM 0 H VAL A 15 17.963 -2.779 -12.846 1.00 0.00 H new ATOM 0 HA VAL A 15 18.419 -1.475 -10.254 1.00 0.00 H new ATOM 0 HB VAL A 15 20.412 -0.503 -11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.709 -2.576 -11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 15 20.629 -2.658 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 20.195 -3.507 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.083 -1.232 -13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 15 19.542 -2.106 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 15 19.547 -0.332 -13.620 1.00 0.00 H new ATOM 197 N GLN A 16 17.264 -0.136 -13.021 1.00 0.00 N ATOM 198 CA GLN A 16 16.584 1.029 -13.574 1.00 0.00 C ATOM 199 C GLN A 16 15.117 1.052 -13.157 1.00 0.00 C ATOM 200 O GLN A 16 14.220 0.982 -13.998 1.00 0.00 O ATOM 201 CB GLN A 16 16.692 1.032 -15.100 1.00 0.00 C ATOM 202 CG GLN A 16 16.079 -0.194 -15.756 1.00 0.00 C ATOM 203 CD GLN A 16 16.555 -0.393 -17.182 1.00 0.00 C ATOM 204 OE1 GLN A 16 15.995 0.174 -18.120 1.00 0.00 O ATOM 205 NE2 GLN A 16 17.595 -1.201 -17.351 1.00 0.00 N ATOM 0 H GLN A 16 17.306 -0.939 -13.649 1.00 0.00 H new ATOM 0 HA GLN A 16 17.069 1.922 -13.180 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.202 1.925 -15.489 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.743 1.097 -15.381 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.326 -1.078 -15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.993 -0.100 -15.749 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.028 -1.650 -16.544 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.961 -1.373 -18.288 1.00 0.00 H new ATOM 214 N LEU A 17 14.879 1.151 -11.854 1.00 0.00 N ATOM 215 CA LEU A 17 13.520 1.183 -11.324 1.00 0.00 C ATOM 216 C LEU A 17 13.321 2.387 -10.410 1.00 0.00 C ATOM 217 O LEU A 17 14.275 2.988 -9.915 1.00 0.00 O ATOM 218 CB LEU A 17 13.219 -0.107 -10.561 1.00 0.00 C ATOM 219 CG LEU A 17 12.602 -1.243 -11.378 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.159 -1.245 -12.793 1.00 0.00 C ATOM 221 CD2 LEU A 17 12.851 -2.583 -10.702 1.00 0.00 C ATOM 0 H LEU A 17 15.609 1.211 -11.145 1.00 0.00 H new ATOM 0 HA LEU A 17 12.830 1.270 -12.164 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.147 -0.468 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.544 0.130 -9.739 1.00 0.00 H new ATOM 0 HG LEU A 17 11.525 -1.082 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.709 -2.060 -13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.928 -0.296 -13.276 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.240 -1.381 -12.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.405 -3.379 -11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.924 -2.753 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.403 -2.578 -9.709 1.00 0.00 H new ATOM 233 N PRO A 18 12.050 2.749 -10.176 1.00 0.00 N ATOM 234 CA PRO A 18 11.695 3.883 -9.317 1.00 0.00 C ATOM 235 C PRO A 18 11.991 3.611 -7.846 1.00 0.00 C ATOM 236 O PRO A 18 12.482 2.541 -7.490 1.00 0.00 O ATOM 237 CB PRO A 18 10.189 4.039 -9.540 1.00 0.00 C ATOM 238 CG PRO A 18 9.726 2.685 -9.957 1.00 0.00 C ATOM 239 CD PRO A 18 10.863 2.079 -10.732 1.00 0.00 C ATOM 0 HA PRO A 18 12.270 4.776 -9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.686 4.367 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.977 4.784 -10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.475 2.074 -9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.827 2.752 -10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.911 0.999 -10.596 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.763 2.262 -11.802 1.00 0.00 H new ATOM 247 N GLY A 19 11.689 4.587 -6.996 1.00 0.00 N ATOM 248 CA GLY A 19 11.930 4.433 -5.573 1.00 0.00 C ATOM 249 C GLY A 19 10.645 4.314 -4.777 1.00 0.00 C ATOM 250 O GLY A 19 9.550 4.552 -5.287 1.00 0.00 O ATOM 0 H GLY A 19 11.282 5.482 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.541 3.546 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.501 5.287 -5.210 1.00 0.00 H new ATOM 254 N PRO A 20 10.770 3.937 -3.496 1.00 0.00 N ATOM 255 CA PRO A 20 9.620 3.778 -2.602 1.00 0.00 C ATOM 256 C PRO A 20 8.972 5.112 -2.248 1.00 0.00 C ATOM 257 O PRO A 20 9.657 6.071 -1.893 1.00 0.00 O ATOM 258 CB PRO A 20 10.227 3.131 -1.355 1.00 0.00 C ATOM 259 CG PRO A 20 11.659 3.544 -1.372 1.00 0.00 C ATOM 260 CD PRO A 20 12.045 3.638 -2.822 1.00 0.00 C ATOM 0 HA PRO A 20 8.826 3.189 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.727 3.473 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.128 2.046 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.795 4.501 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.281 2.818 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.783 4.422 -2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.482 2.707 -3.183 1.00 0.00 H new ATOM 268 N ALA A 21 7.648 5.166 -2.347 1.00 0.00 N ATOM 269 CA ALA A 21 6.907 6.382 -2.034 1.00 0.00 C ATOM 270 C ALA A 21 7.107 6.788 -0.578 1.00 0.00 C ATOM 271 O ALA A 21 6.660 6.110 0.347 1.00 0.00 O ATOM 272 CB ALA A 21 5.428 6.191 -2.332 1.00 0.00 C ATOM 0 H ALA A 21 7.066 4.382 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 21 7.292 7.184 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.888 7.107 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.297 5.957 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.038 5.372 -1.728 1.00 0.00 H new ATOM 278 N PRO A 22 7.796 7.919 -0.367 1.00 0.00 N ATOM 279 CA PRO A 22 8.071 8.440 0.975 1.00 0.00 C ATOM 280 C PRO A 22 6.814 8.962 1.663 1.00 0.00 C ATOM 281 O PRO A 22 5.708 8.822 1.144 1.00 0.00 O ATOM 282 CB PRO A 22 9.053 9.586 0.717 1.00 0.00 C ATOM 283 CG PRO A 22 8.771 10.018 -0.681 1.00 0.00 C ATOM 284 CD PRO A 22 8.359 8.778 -1.423 1.00 0.00 C ATOM 0 HA PRO A 22 8.460 7.668 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.902 10.403 1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.086 9.255 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.980 10.768 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.653 10.469 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.623 8.998 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.208 8.304 -1.916 1.00 0.00 H new ATOM 292 N ASN A 23 6.993 9.563 2.835 1.00 0.00 N ATOM 293 CA ASN A 23 5.872 10.105 3.595 1.00 0.00 C ATOM 294 C ASN A 23 4.623 9.251 3.406 1.00 0.00 C ATOM 295 O ASN A 23 3.552 9.761 3.073 1.00 0.00 O ATOM 296 CB ASN A 23 5.588 11.546 3.165 1.00 0.00 C ATOM 297 CG ASN A 23 6.371 12.557 3.980 1.00 0.00 C ATOM 298 OD1 ASN A 23 5.864 13.628 4.316 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.615 12.222 4.302 1.00 0.00 N ATOM 0 H ASN A 23 7.903 9.687 3.279 1.00 0.00 H new ATOM 0 HA ASN A 23 6.141 10.094 4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.836 11.663 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.522 11.749 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.190 12.863 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.995 11.324 4.003 1.00 0.00 H new ATOM 306 N LEU A 24 4.766 7.948 3.620 1.00 0.00 N ATOM 307 CA LEU A 24 3.649 7.021 3.475 1.00 0.00 C ATOM 308 C LEU A 24 2.786 7.006 4.732 1.00 0.00 C ATOM 309 O LEU A 24 3.177 6.452 5.759 1.00 0.00 O ATOM 310 CB LEU A 24 4.165 5.611 3.181 1.00 0.00 C ATOM 311 CG LEU A 24 3.099 4.534 2.980 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.307 4.796 1.708 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.737 3.153 2.939 1.00 0.00 C ATOM 0 H LEU A 24 5.645 7.509 3.895 1.00 0.00 H new ATOM 0 HA LEU A 24 3.036 7.359 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.785 5.652 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.812 5.304 4.003 1.00 0.00 H new ATOM 0 HG LEU A 24 2.411 4.569 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.553 4.019 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.818 5.768 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.981 4.789 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.963 2.399 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.448 3.105 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.257 2.965 3.878 1.00 0.00 H new ATOM 325 N ARG A 25 1.609 7.618 4.643 1.00 0.00 N ATOM 326 CA ARG A 25 0.689 7.674 5.773 1.00 0.00 C ATOM 327 C ARG A 25 -0.557 6.836 5.502 1.00 0.00 C ATOM 328 O ARG A 25 -0.849 6.493 4.357 1.00 0.00 O ATOM 329 CB ARG A 25 0.290 9.123 6.061 1.00 0.00 C ATOM 330 CG ARG A 25 1.384 10.130 5.746 1.00 0.00 C ATOM 331 CD ARG A 25 2.507 10.071 6.770 1.00 0.00 C ATOM 332 NE ARG A 25 2.161 10.774 8.003 1.00 0.00 N ATOM 333 CZ ARG A 25 2.323 12.081 8.173 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.822 12.824 7.194 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.985 12.649 9.324 1.00 0.00 N ATOM 0 H ARG A 25 1.270 8.082 3.800 1.00 0.00 H new ATOM 0 HA ARG A 25 1.198 7.264 6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.598 9.369 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.016 9.214 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.786 9.933 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.961 11.134 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.735 9.030 6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.410 10.509 6.344 1.00 0.00 H new ATOM 0 HE ARG A 25 1.774 10.231 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.082 12.392 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.945 13.828 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.600 12.081 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.110 13.653 9.453 1.00 0.00 H new ATOM 349 N ALA A 26 -1.286 6.510 6.564 1.00 0.00 N ATOM 350 CA ALA A 26 -2.501 5.714 6.441 1.00 0.00 C ATOM 351 C ALA A 26 -3.385 5.867 7.675 1.00 0.00 C ATOM 352 O ALA A 26 -2.933 5.667 8.803 1.00 0.00 O ATOM 353 CB ALA A 26 -2.152 4.250 6.218 1.00 0.00 C ATOM 0 H ALA A 26 -1.056 6.785 7.519 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.059 6.079 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.069 3.667 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.567 4.151 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.570 3.882 7.063 1.00 0.00 H new ATOM 359 N TYR A 27 -4.645 6.223 7.453 1.00 0.00 N ATOM 360 CA TYR A 27 -5.591 6.406 8.547 1.00 0.00 C ATOM 361 C TYR A 27 -6.990 5.952 8.140 1.00 0.00 C ATOM 362 O TYR A 27 -7.391 6.099 6.986 1.00 0.00 O ATOM 363 CB TYR A 27 -5.625 7.873 8.980 1.00 0.00 C ATOM 364 CG TYR A 27 -5.810 8.839 7.832 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.725 9.270 7.079 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.071 9.320 7.500 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.890 10.153 6.030 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.245 10.202 6.451 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.151 10.616 5.720 1.00 0.00 C ATOM 370 OH TYR A 27 -6.320 11.495 4.674 1.00 0.00 O ATOM 0 H TYR A 27 -5.035 6.391 6.526 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.260 5.794 9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.435 8.013 9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.696 8.112 9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.736 8.908 7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.929 8.999 8.072 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.036 10.479 5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.232 10.565 6.205 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.632 11.332 3.996 1.00 0.00 H new ATOM 380 N ALA A 28 -7.728 5.399 9.098 1.00 0.00 N ATOM 381 CA ALA A 28 -9.082 4.926 8.841 1.00 0.00 C ATOM 382 C ALA A 28 -10.100 6.046 9.027 1.00 0.00 C ATOM 383 O ALA A 28 -10.382 6.461 10.150 1.00 0.00 O ATOM 384 CB ALA A 28 -9.413 3.753 9.752 1.00 0.00 C ATOM 0 H ALA A 28 -7.410 5.268 10.058 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.133 4.593 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.427 3.410 9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.711 2.940 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.338 4.068 10.793 1.00 0.00 H new ATOM 390 N ALA A 29 -10.647 6.532 7.917 1.00 0.00 N ATOM 391 CA ALA A 29 -11.635 7.603 7.959 1.00 0.00 C ATOM 392 C ALA A 29 -12.965 7.103 8.510 1.00 0.00 C ATOM 393 O ALA A 29 -13.669 7.828 9.214 1.00 0.00 O ATOM 394 CB ALA A 29 -11.826 8.198 6.571 1.00 0.00 C ATOM 0 H ALA A 29 -10.423 6.201 6.979 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.265 8.380 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.566 8.997 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.878 8.601 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.170 7.422 5.887 1.00 0.00 H new ATOM 400 N SER A 30 -13.305 5.859 8.186 1.00 0.00 N ATOM 401 CA SER A 30 -14.554 5.263 8.646 1.00 0.00 C ATOM 402 C SER A 30 -14.334 3.822 9.097 1.00 0.00 C ATOM 403 O SER A 30 -13.345 3.179 8.746 1.00 0.00 O ATOM 404 CB SER A 30 -15.604 5.307 7.534 1.00 0.00 C ATOM 405 OG SER A 30 -16.324 6.527 7.562 1.00 0.00 O ATOM 0 H SER A 30 -12.733 5.245 7.607 1.00 0.00 H new ATOM 0 HA SER A 30 -14.913 5.841 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.118 5.190 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.294 4.471 7.648 1.00 0.00 H new ATOM 0 HG SER A 30 -16.988 6.532 6.841 1.00 0.00 H new ATOM 411 N PRO A 31 -15.279 3.303 9.895 1.00 0.00 N ATOM 412 CA PRO A 31 -15.213 1.932 10.411 1.00 0.00 C ATOM 413 C PRO A 31 -15.424 0.890 9.319 1.00 0.00 C ATOM 414 O PRO A 31 -15.363 -0.314 9.573 1.00 0.00 O ATOM 415 CB PRO A 31 -16.357 1.881 11.427 1.00 0.00 C ATOM 416 CG PRO A 31 -17.318 2.922 10.968 1.00 0.00 C ATOM 417 CD PRO A 31 -16.485 4.012 10.353 1.00 0.00 C ATOM 0 HA PRO A 31 -14.236 1.703 10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.822 0.896 11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.000 2.089 12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.021 2.512 10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.907 3.304 11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.004 4.497 9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.243 4.790 11.077 1.00 0.00 H new ATOM 425 N THR A 32 -15.671 1.359 8.100 1.00 0.00 N ATOM 426 CA THR A 32 -15.891 0.467 6.968 1.00 0.00 C ATOM 427 C THR A 32 -14.958 0.806 5.811 1.00 0.00 C ATOM 428 O THR A 32 -14.770 0.004 4.897 1.00 0.00 O ATOM 429 CB THR A 32 -17.349 0.535 6.474 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.616 1.826 5.914 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.319 0.260 7.613 1.00 0.00 C ATOM 0 H THR A 32 -15.724 2.352 7.871 1.00 0.00 H new ATOM 0 HA THR A 32 -15.680 -0.544 7.317 1.00 0.00 H new ATOM 0 HB THR A 32 -17.487 -0.228 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.544 1.861 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.342 0.313 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.132 -0.734 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.179 1.004 8.397 1.00 0.00 H new ATOM 439 N SER A 33 -14.376 2.000 5.857 1.00 0.00 N ATOM 440 CA SER A 33 -13.464 2.447 4.810 1.00 0.00 C ATOM 441 C SER A 33 -12.168 2.981 5.411 1.00 0.00 C ATOM 442 O SER A 33 -12.067 3.179 6.622 1.00 0.00 O ATOM 443 CB SER A 33 -14.127 3.529 3.955 1.00 0.00 C ATOM 444 OG SER A 33 -15.375 3.086 3.449 1.00 0.00 O ATOM 0 H SER A 33 -14.520 2.675 6.608 1.00 0.00 H new ATOM 0 HA SER A 33 -13.226 1.591 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.272 4.430 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.470 3.797 3.128 1.00 0.00 H new ATOM 0 HG SER A 33 -15.779 3.796 2.908 1.00 0.00 H new ATOM 450 N ILE A 34 -11.178 3.212 4.555 1.00 0.00 N ATOM 451 CA ILE A 34 -9.888 3.724 5.000 1.00 0.00 C ATOM 452 C ILE A 34 -9.295 4.686 3.976 1.00 0.00 C ATOM 453 O ILE A 34 -9.519 4.546 2.773 1.00 0.00 O ATOM 454 CB ILE A 34 -8.886 2.582 5.254 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.375 1.690 6.397 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.508 3.146 5.567 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.619 0.385 6.512 1.00 0.00 C ATOM 0 H ILE A 34 -11.245 3.053 3.550 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.066 4.256 5.935 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.812 1.976 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.286 2.236 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.434 1.475 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.811 2.327 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.159 3.743 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.565 3.773 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.020 -0.196 7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.729 -0.182 5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.563 0.590 6.689 1.00 0.00 H new ATOM 469 N THR A 35 -8.536 5.664 4.461 1.00 0.00 N ATOM 470 CA THR A 35 -7.910 6.650 3.589 1.00 0.00 C ATOM 471 C THR A 35 -6.390 6.581 3.684 1.00 0.00 C ATOM 472 O THR A 35 -5.812 6.825 4.743 1.00 0.00 O ATOM 473 CB THR A 35 -8.370 8.078 3.935 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.781 8.204 3.721 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.631 9.105 3.090 1.00 0.00 C ATOM 0 H THR A 35 -8.340 5.794 5.454 1.00 0.00 H new ATOM 0 HA THR A 35 -8.219 6.413 2.571 1.00 0.00 H new ATOM 0 HB THR A 35 -8.144 8.264 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.066 9.115 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.973 10.106 3.352 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.560 9.027 3.277 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.830 8.919 2.035 1.00 0.00 H new ATOM 483 N VAL A 36 -5.747 6.247 2.569 1.00 0.00 N ATOM 484 CA VAL A 36 -4.293 6.148 2.526 1.00 0.00 C ATOM 485 C VAL A 36 -3.693 7.249 1.658 1.00 0.00 C ATOM 486 O VAL A 36 -4.176 7.522 0.559 1.00 0.00 O ATOM 487 CB VAL A 36 -3.839 4.779 1.986 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.322 4.681 1.987 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.455 3.654 2.804 1.00 0.00 C ATOM 0 H VAL A 36 -6.210 6.041 1.684 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.938 6.262 3.550 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.184 4.681 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.020 3.707 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.906 5.466 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.950 4.800 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.124 2.694 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.141 3.746 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.542 3.715 2.746 1.00 0.00 H new ATOM 499 N THR A 37 -2.635 7.879 2.158 1.00 0.00 N ATOM 500 CA THR A 37 -1.968 8.950 1.430 1.00 0.00 C ATOM 501 C THR A 37 -0.457 8.746 1.412 1.00 0.00 C ATOM 502 O THR A 37 0.159 8.510 2.451 1.00 0.00 O ATOM 503 CB THR A 37 -2.281 10.328 2.045 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.710 10.421 3.354 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.783 10.556 2.124 1.00 0.00 C ATOM 0 H THR A 37 -2.221 7.665 3.066 1.00 0.00 H new ATOM 0 HA THR A 37 -2.348 8.921 0.409 1.00 0.00 H new ATOM 0 HB THR A 37 -1.846 11.095 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.035 9.720 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.980 11.535 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.211 10.513 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.236 9.783 2.745 1.00 0.00 H new ATOM 513 N TRP A 38 0.133 8.839 0.226 1.00 0.00 N ATOM 514 CA TRP A 38 1.573 8.664 0.074 1.00 0.00 C ATOM 515 C TRP A 38 2.180 9.816 -0.720 1.00 0.00 C ATOM 516 O TRP A 38 1.460 10.621 -1.309 1.00 0.00 O ATOM 517 CB TRP A 38 1.876 7.335 -0.619 1.00 0.00 C ATOM 518 CG TRP A 38 1.158 7.168 -1.924 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.644 7.450 -3.169 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.175 6.682 -2.113 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.693 7.169 -4.120 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.432 6.696 -3.498 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.176 6.235 -1.247 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.648 6.281 -4.033 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.383 5.824 -1.780 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.611 5.848 -3.162 1.00 0.00 C ATOM 0 H TRP A 38 -0.363 9.034 -0.644 1.00 0.00 H new ATOM 0 HA TRP A 38 2.020 8.657 1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.950 7.260 -0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.602 6.516 0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.631 7.837 -3.376 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.806 7.293 -5.126 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.010 6.211 -0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.826 6.300 -5.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.164 5.478 -1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.565 5.519 -3.547 1.00 0.00 H new ATOM 537 N GLU A 39 3.508 9.886 -0.732 1.00 0.00 N ATOM 538 CA GLU A 39 4.210 10.941 -1.454 1.00 0.00 C ATOM 539 C GLU A 39 5.044 10.358 -2.592 1.00 0.00 C ATOM 540 O GLU A 39 5.297 9.154 -2.639 1.00 0.00 O ATOM 541 CB GLU A 39 5.108 11.731 -0.501 1.00 0.00 C ATOM 542 CG GLU A 39 4.393 12.872 0.203 1.00 0.00 C ATOM 543 CD GLU A 39 4.177 14.072 -0.699 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.965 13.869 -1.913 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.222 15.212 -0.192 1.00 0.00 O ATOM 0 H GLU A 39 4.118 9.226 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 39 3.465 11.613 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.516 11.052 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.953 12.133 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.429 12.520 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.973 13.177 1.074 1.00 0.00 H new ATOM 552 N THR A 40 5.469 11.222 -3.508 1.00 0.00 N ATOM 553 CA THR A 40 6.273 10.795 -4.646 1.00 0.00 C ATOM 554 C THR A 40 7.755 10.760 -4.290 1.00 0.00 C ATOM 555 O THR A 40 8.307 11.709 -3.734 1.00 0.00 O ATOM 556 CB THR A 40 6.070 11.724 -5.858 1.00 0.00 C ATOM 557 OG1 THR A 40 4.802 11.461 -6.470 1.00 0.00 O ATOM 558 CG2 THR A 40 7.181 11.533 -6.879 1.00 0.00 C ATOM 0 H THR A 40 5.270 12.222 -3.484 1.00 0.00 H new ATOM 0 HA THR A 40 5.941 9.790 -4.908 1.00 0.00 H new ATOM 0 HB THR A 40 6.096 12.755 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.852 10.626 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.016 12.200 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.142 11.763 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.183 10.500 -7.226 1.00 0.00 H new ATOM 566 N PRO A 41 8.417 9.641 -4.618 1.00 0.00 N ATOM 567 CA PRO A 41 9.845 9.456 -4.343 1.00 0.00 C ATOM 568 C PRO A 41 10.723 10.347 -5.215 1.00 0.00 C ATOM 569 O PRO A 41 10.853 10.122 -6.418 1.00 0.00 O ATOM 570 CB PRO A 41 10.082 7.981 -4.677 1.00 0.00 C ATOM 571 CG PRO A 41 9.018 7.639 -5.661 1.00 0.00 C ATOM 572 CD PRO A 41 7.822 8.469 -5.284 1.00 0.00 C ATOM 0 HA PRO A 41 10.100 9.722 -3.317 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.075 7.825 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.012 7.357 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.342 7.860 -6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.782 6.576 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.240 8.757 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.150 7.927 -4.619 1.00 0.00 H new ATOM 580 N VAL A 42 11.325 11.360 -4.599 1.00 0.00 N ATOM 581 CA VAL A 42 12.193 12.284 -5.319 1.00 0.00 C ATOM 582 C VAL A 42 13.215 11.533 -6.165 1.00 0.00 C ATOM 583 O VAL A 42 13.773 12.082 -7.115 1.00 0.00 O ATOM 584 CB VAL A 42 12.936 13.225 -4.352 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.949 13.956 -3.455 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.947 12.447 -3.523 1.00 0.00 C ATOM 0 H VAL A 42 11.227 11.561 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 42 11.552 12.877 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 42 13.476 13.968 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.492 14.616 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.268 14.546 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.379 13.231 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.463 13.128 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.431 11.681 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.673 11.974 -4.184 1.00 0.00 H new ATOM 596 N SER A 43 13.456 10.274 -5.813 1.00 0.00 N ATOM 597 CA SER A 43 14.414 9.448 -6.538 1.00 0.00 C ATOM 598 C SER A 43 13.732 8.700 -7.680 1.00 0.00 C ATOM 599 O SER A 43 12.518 8.499 -7.668 1.00 0.00 O ATOM 600 CB SER A 43 15.081 8.451 -5.588 1.00 0.00 C ATOM 601 OG SER A 43 16.270 7.925 -6.154 1.00 0.00 O ATOM 0 H SER A 43 13.001 9.804 -5.030 1.00 0.00 H new ATOM 0 HA SER A 43 15.176 10.104 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.311 8.942 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.390 7.638 -5.365 1.00 0.00 H new ATOM 0 HG SER A 43 16.678 7.292 -5.527 1.00 0.00 H new ATOM 607 N GLY A 44 14.523 8.291 -8.667 1.00 0.00 N ATOM 608 CA GLY A 44 13.979 7.571 -9.804 1.00 0.00 C ATOM 609 C GLY A 44 14.631 7.974 -11.112 1.00 0.00 C ATOM 610 O GLY A 44 15.218 9.050 -11.214 1.00 0.00 O ATOM 0 H GLY A 44 15.531 8.445 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.113 6.500 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.906 7.753 -9.865 1.00 0.00 H new ATOM 614 N ASN A 45 14.529 7.106 -12.114 1.00 0.00 N ATOM 615 CA ASN A 45 15.116 7.377 -13.421 1.00 0.00 C ATOM 616 C ASN A 45 14.039 7.762 -14.431 1.00 0.00 C ATOM 617 O ASN A 45 14.202 8.712 -15.195 1.00 0.00 O ATOM 618 CB ASN A 45 15.885 6.152 -13.921 1.00 0.00 C ATOM 619 CG ASN A 45 15.059 4.882 -13.851 1.00 0.00 C ATOM 620 OD1 ASN A 45 14.052 4.822 -13.145 1.00 0.00 O ATOM 621 ND2 ASN A 45 15.483 3.859 -14.584 1.00 0.00 N ATOM 0 H ASN A 45 14.046 6.210 -12.046 1.00 0.00 H new ATOM 0 HA ASN A 45 15.807 8.214 -13.316 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.201 6.320 -14.951 1.00 0.00 H new ATOM 0 HB3 ASN A 45 16.790 6.027 -13.326 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.968 2.978 -14.577 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.323 3.954 -15.154 1.00 0.00 H new ATOM 628 N GLY A 46 12.938 7.016 -14.428 1.00 0.00 N ATOM 629 CA GLY A 46 11.851 7.295 -15.348 1.00 0.00 C ATOM 630 C GLY A 46 10.700 8.022 -14.681 1.00 0.00 C ATOM 631 O GLY A 46 10.765 8.343 -13.495 1.00 0.00 O ATOM 0 H GLY A 46 12.780 6.224 -13.805 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.225 7.896 -16.176 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.488 6.359 -15.772 1.00 0.00 H new ATOM 635 N GLU A 47 9.644 8.283 -15.446 1.00 0.00 N ATOM 636 CA GLU A 47 8.475 8.978 -14.922 1.00 0.00 C ATOM 637 C GLU A 47 7.408 7.985 -14.471 1.00 0.00 C ATOM 638 O GLU A 47 7.141 6.993 -15.150 1.00 0.00 O ATOM 639 CB GLU A 47 7.896 9.919 -15.980 1.00 0.00 C ATOM 640 CG GLU A 47 7.259 9.196 -17.155 1.00 0.00 C ATOM 641 CD GLU A 47 6.435 10.120 -18.031 1.00 0.00 C ATOM 642 OE1 GLU A 47 5.639 10.907 -17.478 1.00 0.00 O ATOM 643 OE2 GLU A 47 6.585 10.055 -19.269 1.00 0.00 O ATOM 0 H GLU A 47 9.575 8.023 -16.430 1.00 0.00 H new ATOM 0 HA GLU A 47 8.790 9.564 -14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.150 10.562 -15.513 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.690 10.568 -16.351 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.040 8.731 -17.757 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.624 8.393 -16.782 1.00 0.00 H new ATOM 650 N ILE A 48 6.801 8.259 -13.321 1.00 0.00 N ATOM 651 CA ILE A 48 5.763 7.391 -12.779 1.00 0.00 C ATOM 652 C ILE A 48 4.507 7.432 -13.642 1.00 0.00 C ATOM 653 O ILE A 48 3.828 8.456 -13.717 1.00 0.00 O ATOM 654 CB ILE A 48 5.395 7.785 -11.336 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.639 7.764 -10.446 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.328 6.850 -10.788 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.148 6.370 -10.152 1.00 0.00 C ATOM 0 H ILE A 48 7.010 9.075 -12.747 1.00 0.00 H new ATOM 0 HA ILE A 48 6.167 6.379 -12.778 1.00 0.00 H new ATOM 0 HB ILE A 48 4.993 8.798 -11.342 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.431 8.337 -10.929 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.411 8.265 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.078 7.141 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.436 6.911 -11.411 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.704 5.827 -10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.031 6.432 -9.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.372 5.800 -9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.408 5.873 -11.087 1.00 0.00 H new ATOM 669 N GLN A 49 4.203 6.312 -14.289 1.00 0.00 N ATOM 670 CA GLN A 49 3.026 6.220 -15.146 1.00 0.00 C ATOM 671 C GLN A 49 1.763 6.016 -14.316 1.00 0.00 C ATOM 672 O GLN A 49 0.799 6.770 -14.440 1.00 0.00 O ATOM 673 CB GLN A 49 3.185 5.072 -16.144 1.00 0.00 C ATOM 674 CG GLN A 49 3.953 5.459 -17.398 1.00 0.00 C ATOM 675 CD GLN A 49 3.858 4.409 -18.487 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.003 3.524 -18.440 1.00 0.00 O ATOM 677 NE2 GLN A 49 4.738 4.501 -19.478 1.00 0.00 N ATOM 0 H GLN A 49 4.755 5.456 -14.237 1.00 0.00 H new ATOM 0 HA GLN A 49 2.932 7.158 -15.693 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.698 4.244 -15.654 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.197 4.710 -16.430 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.569 6.406 -17.777 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.001 5.619 -17.143 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.430 5.250 -19.478 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.722 3.822 -20.239 1.00 0.00 H new ATOM 686 N ASN A 50 1.776 4.992 -13.469 1.00 0.00 N ATOM 687 CA ASN A 50 0.631 4.689 -12.619 1.00 0.00 C ATOM 688 C ASN A 50 1.085 4.229 -11.237 1.00 0.00 C ATOM 689 O ASN A 50 2.191 3.713 -11.076 1.00 0.00 O ATOM 690 CB ASN A 50 -0.241 3.611 -13.266 1.00 0.00 C ATOM 691 CG ASN A 50 0.454 2.264 -13.324 1.00 0.00 C ATOM 692 OD1 ASN A 50 1.574 2.152 -13.823 1.00 0.00 O ATOM 693 ND2 ASN A 50 -0.209 1.234 -12.814 1.00 0.00 N ATOM 0 H ASN A 50 2.567 4.358 -13.353 1.00 0.00 H new ATOM 0 HA ASN A 50 0.045 5.601 -12.505 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.170 3.514 -12.705 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.510 3.922 -14.276 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.208 0.303 -12.826 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.135 1.373 -12.410 1.00 0.00 H new ATOM 700 N TYR A 51 0.224 4.419 -10.243 1.00 0.00 N ATOM 701 CA TYR A 51 0.538 4.026 -8.875 1.00 0.00 C ATOM 702 C TYR A 51 -0.282 2.809 -8.456 1.00 0.00 C ATOM 703 O TYR A 51 -1.475 2.719 -8.747 1.00 0.00 O ATOM 704 CB TYR A 51 0.274 5.187 -7.915 1.00 0.00 C ATOM 705 CG TYR A 51 1.344 6.254 -7.946 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.613 6.008 -7.437 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.086 7.509 -8.485 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.594 6.980 -7.463 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.062 8.487 -8.516 1.00 0.00 C ATOM 710 CZ TYR A 51 3.314 8.218 -8.004 1.00 0.00 C ATOM 711 OH TYR A 51 4.288 9.189 -8.032 1.00 0.00 O ATOM 0 H TYR A 51 -0.696 4.843 -10.359 1.00 0.00 H new ATOM 0 HA TYR A 51 1.595 3.762 -8.834 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.686 5.640 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.191 4.797 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.836 5.040 -7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.107 7.723 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.575 6.772 -7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.845 9.457 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 51 4.020 9.904 -8.646 1.00 0.00 H new ATOM 721 N LYS A 52 0.367 1.873 -7.771 1.00 0.00 N ATOM 722 CA LYS A 52 -0.299 0.661 -7.310 1.00 0.00 C ATOM 723 C LYS A 52 -0.499 0.692 -5.798 1.00 0.00 C ATOM 724 O LYS A 52 0.412 1.047 -5.048 1.00 0.00 O ATOM 725 CB LYS A 52 0.515 -0.574 -7.702 1.00 0.00 C ATOM 726 CG LYS A 52 -0.276 -1.869 -7.640 1.00 0.00 C ATOM 727 CD LYS A 52 -1.300 -1.951 -8.759 1.00 0.00 C ATOM 728 CE LYS A 52 -0.645 -2.287 -10.090 1.00 0.00 C ATOM 729 NZ LYS A 52 -0.576 -3.757 -10.319 1.00 0.00 N ATOM 0 H LYS A 52 1.355 1.931 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.277 0.610 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.898 -0.440 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.379 -0.654 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.406 -2.717 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.781 -1.942 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.045 -2.709 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.827 -1.001 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.206 -1.819 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.361 -1.868 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.123 -3.945 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.019 -4.201 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.537 -4.154 -10.320 1.00 0.00 H new ATOM 743 N LEU A 53 -1.694 0.318 -5.356 1.00 0.00 N ATOM 744 CA LEU A 53 -2.013 0.302 -3.933 1.00 0.00 C ATOM 745 C LEU A 53 -2.667 -1.018 -3.536 1.00 0.00 C ATOM 746 O LEU A 53 -3.765 -1.340 -3.991 1.00 0.00 O ATOM 747 CB LEU A 53 -2.940 1.468 -3.584 1.00 0.00 C ATOM 748 CG LEU A 53 -3.665 1.370 -2.241 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.670 1.423 -1.092 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.695 2.483 -2.109 1.00 0.00 C ATOM 0 H LEU A 53 -2.459 0.022 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.082 0.407 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.354 2.387 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.688 1.560 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.186 0.413 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.204 1.352 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.971 0.591 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.121 2.364 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.201 2.398 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.196 3.450 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.426 2.399 -2.913 1.00 0.00 H new ATOM 762 N TYR A 54 -1.986 -1.778 -2.686 1.00 0.00 N ATOM 763 CA TYR A 54 -2.500 -3.063 -2.228 1.00 0.00 C ATOM 764 C TYR A 54 -3.219 -2.917 -0.890 1.00 0.00 C ATOM 765 O TYR A 54 -2.993 -1.958 -0.152 1.00 0.00 O ATOM 766 CB TYR A 54 -1.361 -4.075 -2.099 1.00 0.00 C ATOM 767 CG TYR A 54 -0.644 -4.349 -3.402 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.030 -3.323 -4.109 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.580 -5.635 -3.926 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.625 -3.568 -5.300 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.075 -5.890 -5.115 1.00 0.00 C ATOM 772 CZ TYR A 54 0.675 -4.853 -5.799 1.00 0.00 C ATOM 773 OH TYR A 54 1.328 -5.102 -6.985 1.00 0.00 O ATOM 0 H TYR A 54 -1.076 -1.526 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.216 -3.423 -2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.641 -3.708 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.761 -5.012 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.065 -2.316 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.051 -6.449 -3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.095 -2.758 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.117 -6.895 -5.507 1.00 0.00 H new ATOM 0 HH TYR A 54 1.272 -6.058 -7.195 1.00 0.00 H new ATOM 783 N TYR A 55 -4.086 -3.876 -0.585 1.00 0.00 N ATOM 784 CA TYR A 55 -4.840 -3.855 0.663 1.00 0.00 C ATOM 785 C TYR A 55 -5.366 -5.246 1.005 1.00 0.00 C ATOM 786 O TYR A 55 -5.932 -5.934 0.156 1.00 0.00 O ATOM 787 CB TYR A 55 -6.005 -2.868 0.563 1.00 0.00 C ATOM 788 CG TYR A 55 -7.122 -3.340 -0.339 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.926 -3.475 -1.709 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.375 -3.650 0.176 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.945 -3.905 -2.537 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.398 -4.082 -0.644 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.179 -4.208 -2.000 1.00 0.00 C ATOM 794 OH TYR A 55 -10.196 -4.637 -2.821 1.00 0.00 O ATOM 0 H TYR A 55 -4.284 -4.677 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.168 -3.534 1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.406 -2.690 1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.631 -1.913 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.961 -3.240 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.552 -3.551 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.776 -4.003 -3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.365 -4.320 -0.226 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.998 -4.809 -2.285 1.00 0.00 H new ATOM 804 N MET A 56 -5.175 -5.652 2.256 1.00 0.00 N ATOM 805 CA MET A 56 -5.631 -6.960 2.713 1.00 0.00 C ATOM 806 C MET A 56 -5.777 -6.985 4.231 1.00 0.00 C ATOM 807 O MET A 56 -5.229 -6.134 4.930 1.00 0.00 O ATOM 808 CB MET A 56 -4.655 -8.049 2.264 1.00 0.00 C ATOM 809 CG MET A 56 -3.555 -8.333 3.275 1.00 0.00 C ATOM 810 SD MET A 56 -2.159 -9.217 2.553 1.00 0.00 S ATOM 811 CE MET A 56 -1.664 -10.251 3.930 1.00 0.00 C ATOM 0 H MET A 56 -4.708 -5.095 2.971 1.00 0.00 H new ATOM 0 HA MET A 56 -6.608 -7.152 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.210 -8.968 2.075 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.201 -7.751 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.204 -7.392 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.965 -8.919 4.097 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.866 -10.923 3.612 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.306 -9.623 4.746 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.518 -10.837 4.270 1.00 0.00 H new ATOM 821 N GLU A 57 -6.520 -7.967 4.733 1.00 0.00 N ATOM 822 CA GLU A 57 -6.738 -8.101 6.169 1.00 0.00 C ATOM 823 C GLU A 57 -5.563 -8.812 6.833 1.00 0.00 C ATOM 824 O GLU A 57 -5.091 -9.841 6.350 1.00 0.00 O ATOM 825 CB GLU A 57 -8.034 -8.868 6.440 1.00 0.00 C ATOM 826 CG GLU A 57 -8.191 -9.303 7.888 1.00 0.00 C ATOM 827 CD GLU A 57 -9.640 -9.530 8.275 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.527 -8.955 7.610 1.00 0.00 O ATOM 829 OE2 GLU A 57 -9.885 -10.282 9.241 1.00 0.00 O ATOM 0 H GLU A 57 -6.980 -8.680 4.168 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.821 -7.101 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.882 -8.241 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.066 -9.749 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.627 -10.222 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.759 -8.544 8.540 1.00 0.00 H new ATOM 836 N LYS A 58 -5.096 -8.256 7.946 1.00 0.00 N ATOM 837 CA LYS A 58 -3.977 -8.836 8.680 1.00 0.00 C ATOM 838 C LYS A 58 -4.308 -10.249 9.150 1.00 0.00 C ATOM 839 O LYS A 58 -4.981 -10.435 10.162 1.00 0.00 O ATOM 840 CB LYS A 58 -3.618 -7.958 9.881 1.00 0.00 C ATOM 841 CG LYS A 58 -2.150 -8.023 10.265 1.00 0.00 C ATOM 842 CD LYS A 58 -1.291 -7.192 9.326 1.00 0.00 C ATOM 843 CE LYS A 58 0.191 -7.415 9.583 1.00 0.00 C ATOM 844 NZ LYS A 58 1.001 -7.242 8.346 1.00 0.00 N ATOM 0 H LYS A 58 -5.475 -7.404 8.360 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.121 -8.887 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.881 -6.924 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.222 -8.262 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.024 -7.666 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.813 -9.060 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.525 -7.450 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.529 -6.136 9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.537 -6.716 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.344 -8.419 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.005 -7.402 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.689 -7.926 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.876 -6.276 7.981 1.00 0.00 H new ATOM 858 N GLY A 59 -3.828 -11.242 8.408 1.00 0.00 N ATOM 859 CA GLY A 59 -4.083 -12.626 8.766 1.00 0.00 C ATOM 860 C GLY A 59 -4.967 -13.332 7.758 1.00 0.00 C ATOM 861 O GLY A 59 -5.877 -14.074 8.130 1.00 0.00 O ATOM 0 H GLY A 59 -3.267 -11.113 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.135 -13.157 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.555 -12.663 9.748 1.00 0.00 H new ATOM 865 N THR A 60 -4.701 -13.102 6.475 1.00 0.00 N ATOM 866 CA THR A 60 -5.481 -13.719 5.410 1.00 0.00 C ATOM 867 C THR A 60 -4.574 -14.338 4.353 1.00 0.00 C ATOM 868 O THR A 60 -4.920 -15.349 3.740 1.00 0.00 O ATOM 869 CB THR A 60 -6.416 -12.698 4.734 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.720 -11.635 5.644 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.705 -13.365 4.277 1.00 0.00 C ATOM 0 H THR A 60 -3.951 -12.493 6.149 1.00 0.00 H new ATOM 0 HA THR A 60 -6.083 -14.501 5.872 1.00 0.00 H new ATOM 0 HB THR A 60 -5.905 -12.293 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.104 -10.888 5.492 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.349 -12.625 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.473 -14.155 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.218 -13.794 5.138 1.00 0.00 H new ATOM 879 N ASP A 61 -3.414 -13.727 4.145 1.00 0.00 N ATOM 880 CA ASP A 61 -2.456 -14.220 3.162 1.00 0.00 C ATOM 881 C ASP A 61 -2.996 -14.053 1.745 1.00 0.00 C ATOM 882 O ASP A 61 -2.622 -14.794 0.835 1.00 0.00 O ATOM 883 CB ASP A 61 -2.131 -15.691 3.427 1.00 0.00 C ATOM 884 CG ASP A 61 -1.700 -15.940 4.859 1.00 0.00 C ATOM 885 OD1 ASP A 61 -2.301 -15.337 5.773 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.763 -16.738 5.066 1.00 0.00 O ATOM 0 H ASP A 61 -3.114 -12.889 4.644 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.543 -13.632 3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.007 -16.300 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.339 -16.012 2.751 1.00 0.00 H new ATOM 891 N LYS A 62 -3.878 -13.076 1.565 1.00 0.00 N ATOM 892 CA LYS A 62 -4.470 -12.810 0.260 1.00 0.00 C ATOM 893 C LYS A 62 -4.374 -11.329 -0.090 1.00 0.00 C ATOM 894 O LYS A 62 -5.362 -10.599 -0.018 1.00 0.00 O ATOM 895 CB LYS A 62 -5.934 -13.255 0.241 1.00 0.00 C ATOM 896 CG LYS A 62 -6.128 -14.693 -0.207 1.00 0.00 C ATOM 897 CD LYS A 62 -5.798 -15.674 0.905 1.00 0.00 C ATOM 898 CE LYS A 62 -7.029 -16.016 1.730 1.00 0.00 C ATOM 899 NZ LYS A 62 -7.844 -17.086 1.092 1.00 0.00 N ATOM 0 H LYS A 62 -4.199 -12.455 2.308 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.914 -13.378 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.354 -13.135 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.496 -12.598 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.160 -14.839 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.494 -14.894 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.382 -16.585 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.032 -15.247 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.721 -16.338 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.640 -15.122 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.674 -17.290 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.159 -16.769 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.269 -17.947 0.992 1.00 0.00 H new ATOM 913 N GLU A 63 -3.177 -10.892 -0.470 1.00 0.00 N ATOM 914 CA GLU A 63 -2.953 -9.497 -0.832 1.00 0.00 C ATOM 915 C GLU A 63 -3.740 -9.127 -2.086 1.00 0.00 C ATOM 916 O GLU A 63 -3.979 -9.969 -2.952 1.00 0.00 O ATOM 917 CB GLU A 63 -1.462 -9.238 -1.057 1.00 0.00 C ATOM 918 CG GLU A 63 -1.025 -7.831 -0.687 1.00 0.00 C ATOM 919 CD GLU A 63 0.420 -7.769 -0.231 1.00 0.00 C ATOM 920 OE1 GLU A 63 1.275 -8.403 -0.884 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.695 -7.088 0.779 1.00 0.00 O ATOM 0 H GLU A 63 -2.348 -11.483 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.302 -8.874 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.885 -9.954 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.225 -9.419 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.159 -7.175 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.669 -7.452 0.106 1.00 0.00 H new ATOM 928 N GLN A 64 -4.140 -7.863 -2.176 1.00 0.00 N ATOM 929 CA GLN A 64 -4.900 -7.382 -3.323 1.00 0.00 C ATOM 930 C GLN A 64 -4.175 -6.232 -4.013 1.00 0.00 C ATOM 931 O GLN A 64 -3.139 -5.765 -3.540 1.00 0.00 O ATOM 932 CB GLN A 64 -6.295 -6.931 -2.884 1.00 0.00 C ATOM 933 CG GLN A 64 -7.244 -8.083 -2.595 1.00 0.00 C ATOM 934 CD GLN A 64 -8.676 -7.625 -2.400 1.00 0.00 C ATOM 935 OE1 GLN A 64 -8.984 -6.897 -1.457 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.560 -8.051 -3.294 1.00 0.00 N ATOM 0 H GLN A 64 -3.950 -7.153 -1.468 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.998 -8.204 -4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.204 -6.314 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.726 -6.302 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.204 -8.797 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.910 -8.608 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.260 -8.654 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.539 -7.776 -3.215 1.00 0.00 H new ATOM 945 N ASP A 65 -4.727 -5.779 -5.134 1.00 0.00 N ATOM 946 CA ASP A 65 -4.133 -4.682 -5.890 1.00 0.00 C ATOM 947 C ASP A 65 -5.208 -3.869 -6.603 1.00 0.00 C ATOM 948 O ASP A 65 -6.077 -4.423 -7.276 1.00 0.00 O ATOM 949 CB ASP A 65 -3.126 -5.222 -6.907 1.00 0.00 C ATOM 950 CG ASP A 65 -3.793 -5.716 -8.176 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.007 -4.894 -9.091 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.101 -6.923 -8.253 1.00 0.00 O ATOM 0 H ASP A 65 -5.585 -6.154 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.614 -4.029 -5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.411 -4.438 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.560 -6.037 -6.456 1.00 0.00 H new ATOM 957 N VAL A 66 -5.145 -2.550 -6.448 1.00 0.00 N ATOM 958 CA VAL A 66 -6.113 -1.659 -7.077 1.00 0.00 C ATOM 959 C VAL A 66 -5.415 -0.556 -7.864 1.00 0.00 C ATOM 960 O VAL A 66 -4.392 -0.023 -7.432 1.00 0.00 O ATOM 961 CB VAL A 66 -7.046 -1.018 -6.033 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.917 -2.076 -5.373 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.238 -0.256 -4.994 1.00 0.00 C ATOM 0 H VAL A 66 -4.434 -2.075 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.707 -2.268 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.700 -0.310 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.569 -1.604 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.523 -2.573 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.283 -2.811 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.913 0.191 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.558 -0.941 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.663 0.529 -5.485 1.00 0.00 H new ATOM 973 N ASP A 67 -5.973 -0.218 -9.021 1.00 0.00 N ATOM 974 CA ASP A 67 -5.405 0.824 -9.869 1.00 0.00 C ATOM 975 C ASP A 67 -5.880 2.204 -9.426 1.00 0.00 C ATOM 976 O ASP A 67 -7.071 2.510 -9.479 1.00 0.00 O ATOM 977 CB ASP A 67 -5.786 0.585 -11.331 1.00 0.00 C ATOM 978 CG ASP A 67 -7.220 0.978 -11.627 1.00 0.00 C ATOM 979 OD1 ASP A 67 -8.116 0.579 -10.854 1.00 0.00 O ATOM 980 OD2 ASP A 67 -7.446 1.684 -12.633 1.00 0.00 O ATOM 0 H ASP A 67 -6.818 -0.650 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.320 0.785 -9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.116 1.154 -11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.644 -0.468 -11.573 1.00 0.00 H new ATOM 985 N VAL A 68 -4.939 3.035 -8.986 1.00 0.00 N ATOM 986 CA VAL A 68 -5.261 4.383 -8.533 1.00 0.00 C ATOM 987 C VAL A 68 -4.578 5.432 -9.403 1.00 0.00 C ATOM 988 O VAL A 68 -3.521 5.182 -9.981 1.00 0.00 O ATOM 989 CB VAL A 68 -4.842 4.597 -7.066 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.187 6.007 -6.613 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.504 3.563 -6.168 1.00 0.00 C ATOM 0 H VAL A 68 -3.948 2.798 -8.934 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.342 4.495 -8.614 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.762 4.471 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.884 6.140 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.663 6.729 -7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.262 6.164 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.197 3.728 -5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.587 3.655 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.202 2.563 -6.480 1.00 0.00 H new ATOM 1001 N SER A 69 -5.191 6.609 -9.492 1.00 0.00 N ATOM 1002 CA SER A 69 -4.644 7.696 -10.294 1.00 0.00 C ATOM 1003 C SER A 69 -4.076 8.797 -9.403 1.00 0.00 C ATOM 1004 O SER A 69 -3.051 9.400 -9.719 1.00 0.00 O ATOM 1005 CB SER A 69 -5.723 8.274 -11.212 1.00 0.00 C ATOM 1006 OG SER A 69 -5.302 9.498 -11.788 1.00 0.00 O ATOM 0 H SER A 69 -6.066 6.833 -9.018 1.00 0.00 H new ATOM 0 HA SER A 69 -3.836 7.293 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.955 7.558 -12.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.640 8.432 -10.645 1.00 0.00 H new ATOM 0 HG SER A 69 -6.009 9.845 -12.371 1.00 0.00 H new ATOM 1012 N SER A 70 -4.752 9.054 -8.287 1.00 0.00 N ATOM 1013 CA SER A 70 -4.319 10.084 -7.351 1.00 0.00 C ATOM 1014 C SER A 70 -3.483 9.479 -6.227 1.00 0.00 C ATOM 1015 O SER A 70 -3.611 8.296 -5.910 1.00 0.00 O ATOM 1016 CB SER A 70 -5.529 10.814 -6.767 1.00 0.00 C ATOM 1017 OG SER A 70 -6.202 11.564 -7.763 1.00 0.00 O ATOM 0 H SER A 70 -5.602 8.563 -8.010 1.00 0.00 H new ATOM 0 HA SER A 70 -3.702 10.799 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.215 10.091 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.205 11.477 -5.965 1.00 0.00 H new ATOM 0 HG SER A 70 -6.973 12.020 -7.364 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.628 10.301 -5.626 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.772 9.849 -4.535 1.00 0.00 C ATOM 1025 C HIS A 71 -2.606 9.354 -3.358 1.00 0.00 C ATOM 1026 O HIS A 71 -2.257 8.369 -2.707 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.848 10.979 -4.081 1.00 0.00 C ATOM 1028 CG HIS A 71 0.123 11.419 -5.133 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.084 12.520 -5.936 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.314 10.899 -5.511 1.00 0.00 C ATOM 1031 CE1 HIS A 71 0.936 12.658 -6.764 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.799 11.687 -6.526 1.00 0.00 N ATOM 0 H HIS A 71 -2.510 11.283 -5.876 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.167 9.020 -4.902 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.454 11.833 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.294 10.653 -3.201 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.794 10.027 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.046 13.433 -7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.682 11.545 -7.016 1.00 0.00 H new ATOM 1041 N SER A 72 -3.711 10.043 -3.090 1.00 0.00 N ATOM 1042 CA SER A 72 -4.593 9.677 -1.988 1.00 0.00 C ATOM 1043 C SER A 72 -5.837 8.960 -2.504 1.00 0.00 C ATOM 1044 O SER A 72 -6.573 9.491 -3.337 1.00 0.00 O ATOM 1045 CB SER A 72 -4.998 10.921 -1.196 1.00 0.00 C ATOM 1046 OG SER A 72 -3.861 11.669 -0.803 1.00 0.00 O ATOM 0 H SER A 72 -4.017 10.858 -3.621 1.00 0.00 H new ATOM 0 HA SER A 72 -4.050 8.998 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.655 11.544 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.565 10.625 -0.313 1.00 0.00 H new ATOM 0 HG SER A 72 -4.148 12.460 -0.300 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.066 7.751 -2.003 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.219 6.960 -2.414 1.00 0.00 C ATOM 1054 C TYR A 73 -8.071 6.572 -1.209 1.00 0.00 C ATOM 1055 O TYR A 73 -7.603 6.590 -0.070 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.763 5.702 -3.156 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.903 4.818 -3.606 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.640 5.125 -4.743 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.243 3.673 -2.895 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.683 4.320 -5.158 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.284 2.862 -3.303 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.001 3.189 -4.435 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.039 2.384 -4.846 1.00 0.00 O ATOM 0 H TYR A 73 -5.468 7.298 -1.312 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.825 7.570 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.177 5.996 -4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.103 5.127 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.393 6.009 -5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.684 3.413 -2.008 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.246 4.575 -6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.535 1.976 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.132 1.629 -4.228 1.00 0.00 H new ATOM 1073 N THR A 74 -9.326 6.220 -1.469 1.00 0.00 N ATOM 1074 CA THR A 74 -10.245 5.828 -0.408 1.00 0.00 C ATOM 1075 C THR A 74 -10.808 4.433 -0.655 1.00 0.00 C ATOM 1076 O THR A 74 -11.534 4.209 -1.623 1.00 0.00 O ATOM 1077 CB THR A 74 -11.413 6.825 -0.279 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.909 8.138 -0.011 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.363 6.404 0.832 1.00 0.00 C ATOM 0 H THR A 74 -9.729 6.198 -2.406 1.00 0.00 H new ATOM 0 HA THR A 74 -9.673 5.827 0.520 1.00 0.00 H new ATOM 0 HB THR A 74 -11.961 6.832 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.657 8.766 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.179 7.123 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.767 5.416 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.824 6.371 1.779 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.468 3.499 0.226 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.941 2.125 0.104 1.00 0.00 C ATOM 1089 C ILE A 75 -12.194 1.899 0.943 1.00 0.00 C ATOM 1090 O ILE A 75 -12.153 1.971 2.170 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.859 1.117 0.534 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.590 1.311 -0.298 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.378 -0.307 0.395 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.338 0.806 0.384 1.00 0.00 C ATOM 0 H ILE A 75 -9.867 3.668 1.032 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.177 1.964 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.614 1.294 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.708 0.796 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.470 2.371 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.602 -1.009 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.256 -0.437 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.647 -0.496 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.477 0.976 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.196 1.339 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.437 -0.261 0.583 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.307 1.623 0.271 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.573 1.384 0.955 1.00 0.00 C ATOM 1108 C ASN A 76 -14.961 -0.090 0.882 1.00 0.00 C ATOM 1109 O ASN A 76 -14.610 -0.789 -0.067 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.679 2.245 0.340 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.543 2.373 -1.165 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.944 1.481 -1.913 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.976 3.485 -1.615 1.00 0.00 N ATOM 0 H ASN A 76 -13.358 1.559 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.449 1.657 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.649 1.810 0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.655 3.238 0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.858 3.627 -2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.659 4.198 -0.958 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.689 -0.555 1.893 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.113 -1.943 1.925 1.00 0.00 C ATOM 1122 C GLY A 77 -15.146 -2.827 2.687 1.00 0.00 C ATOM 1123 O GLY A 77 -14.644 -3.817 2.152 1.00 0.00 O ATOM 0 H GLY A 77 -15.993 0.004 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.099 -2.008 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.212 -2.313 0.905 1.00 0.00 H new ATOM 1127 N LEU A 78 -14.882 -2.471 3.939 1.00 0.00 N ATOM 1128 CA LEU A 78 -13.967 -3.239 4.776 1.00 0.00 C ATOM 1129 C LEU A 78 -14.651 -3.680 6.067 1.00 0.00 C ATOM 1130 O LEU A 78 -15.786 -3.293 6.345 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.724 -2.409 5.102 1.00 0.00 C ATOM 1132 CG LEU A 78 -11.970 -1.832 3.904 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.768 -1.024 4.369 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.535 -2.944 2.961 1.00 0.00 C ATOM 0 H LEU A 78 -15.289 -1.655 4.397 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.667 -4.129 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.022 -1.585 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.036 -3.031 5.674 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.642 -1.166 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.243 -0.621 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.104 -0.204 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.094 -1.667 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.000 -2.514 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.880 -3.635 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.413 -3.480 2.601 1.00 0.00 H new ATOM 1146 N LYS A 79 -13.951 -4.491 6.853 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.487 -4.983 8.117 1.00 0.00 C ATOM 1148 C LYS A 79 -14.336 -3.937 9.216 1.00 0.00 C ATOM 1149 O LYS A 79 -13.448 -3.085 9.160 1.00 0.00 O ATOM 1150 CB LYS A 79 -13.778 -6.276 8.527 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.102 -7.458 7.629 1.00 0.00 C ATOM 1152 CD LYS A 79 -15.362 -8.174 8.084 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.316 -9.655 7.740 1.00 0.00 C ATOM 1154 NZ LYS A 79 -16.460 -10.399 8.339 1.00 0.00 N ATOM 0 H LYS A 79 -13.011 -4.822 6.637 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.549 -5.187 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.701 -6.108 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.054 -6.523 9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.229 -7.113 6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.265 -8.156 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.482 -8.053 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.232 -7.717 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.330 -9.777 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.378 -10.082 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.393 -11.404 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.432 -10.304 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.354 -10.009 7.979 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.207 -4.007 10.217 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.169 -3.068 11.332 1.00 0.00 C ATOM 1170 C LYS A 80 -14.142 -3.501 12.374 1.00 0.00 C ATOM 1171 O LYS A 80 -13.946 -4.694 12.608 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.551 -2.956 11.979 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.462 -1.949 11.299 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.921 -2.364 11.391 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.716 -1.877 10.190 1.00 0.00 C ATOM 1176 NZ LYS A 80 -19.653 -2.839 9.055 1.00 0.00 N ATOM 0 H LYS A 80 -15.948 -4.705 10.279 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.877 -2.093 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.030 -3.935 11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.431 -2.676 13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.332 -0.970 11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.177 -1.849 10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.988 -3.450 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.358 -1.962 12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.756 -1.726 10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.331 -0.910 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.207 -2.470 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.663 -2.965 8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.044 -3.755 9.354 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.490 -2.526 12.996 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.483 -2.806 14.012 1.00 0.00 C ATOM 1192 C TYR A 81 -11.591 -3.969 13.588 1.00 0.00 C ATOM 1193 O TYR A 81 -11.317 -4.877 14.374 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.153 -3.125 15.350 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.187 -3.180 16.513 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.634 -2.018 17.037 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.830 -4.393 17.087 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.751 -2.064 18.098 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.949 -4.448 18.150 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.412 -3.281 18.652 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.533 -3.330 19.710 1.00 0.00 O ATOM 0 H TYR A 81 -13.641 -1.534 12.814 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.862 -1.917 14.127 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.913 -2.371 15.555 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.667 -4.083 15.270 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.899 -1.063 16.608 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.248 -5.309 16.696 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.328 -1.152 18.492 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.682 -5.400 18.585 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.401 -4.262 19.983 1.00 0.00 H new ATOM 1211 N THR A 82 -11.139 -3.934 12.338 1.00 0.00 N ATOM 1212 CA THR A 82 -10.278 -4.983 11.807 1.00 0.00 C ATOM 1213 C THR A 82 -9.018 -4.397 11.182 1.00 0.00 C ATOM 1214 O THR A 82 -9.077 -3.399 10.464 1.00 0.00 O ATOM 1215 CB THR A 82 -11.013 -5.833 10.753 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.241 -6.331 11.295 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.145 -6.996 10.295 1.00 0.00 C ATOM 0 H THR A 82 -11.355 -3.190 11.675 1.00 0.00 H new ATOM 0 HA THR A 82 -10.001 -5.619 12.647 1.00 0.00 H new ATOM 0 HB THR A 82 -11.227 -5.200 9.892 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.790 -5.581 11.606 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.685 -7.582 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.224 -6.612 9.856 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.903 -7.628 11.149 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.878 -5.023 11.459 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.603 -4.561 10.923 1.00 0.00 C ATOM 1227 C GLU A 83 -6.518 -4.821 9.422 1.00 0.00 C ATOM 1228 O GLU A 83 -7.086 -5.789 8.916 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.442 -5.254 11.639 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.176 -4.417 11.698 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.156 -4.969 12.674 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.537 -5.271 13.824 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -1.976 -5.101 12.287 1.00 0.00 O ATOM 0 H GLU A 83 -7.812 -5.851 12.051 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.535 -3.486 11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.750 -5.504 12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.223 -6.194 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.732 -4.367 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.432 -3.397 11.985 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.805 -3.951 8.716 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.648 -4.084 7.273 1.00 0.00 C ATOM 1242 C TYR A 84 -4.299 -3.534 6.819 1.00 0.00 C ATOM 1243 O TYR A 84 -3.917 -2.420 7.178 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.779 -3.354 6.546 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.063 -4.149 6.472 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.220 -5.168 5.540 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.119 -3.882 7.335 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.391 -5.896 5.469 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.293 -4.606 7.271 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.425 -5.612 6.336 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.593 -6.336 6.269 1.00 0.00 O ATOM 0 H TYR A 84 -5.326 -3.146 9.120 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.690 -5.145 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.975 -2.409 7.053 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.453 -3.112 5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.412 -5.394 4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.020 -3.095 8.068 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.497 -6.684 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.104 -4.386 7.949 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.450 -7.224 6.657 1.00 0.00 H new ATOM 1261 N SER A 85 -3.581 -4.325 6.027 1.00 0.00 N ATOM 1262 CA SER A 85 -2.273 -3.920 5.526 1.00 0.00 C ATOM 1263 C SER A 85 -2.414 -3.040 4.288 1.00 0.00 C ATOM 1264 O SER A 85 -3.417 -3.106 3.576 1.00 0.00 O ATOM 1265 CB SER A 85 -1.426 -5.152 5.197 1.00 0.00 C ATOM 1266 OG SER A 85 -0.043 -4.860 5.293 1.00 0.00 O ATOM 0 H SER A 85 -3.883 -5.249 5.719 1.00 0.00 H new ATOM 0 HA SER A 85 -1.775 -3.343 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.678 -5.963 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.659 -5.499 4.190 1.00 0.00 H new ATOM 0 HG SER A 85 0.335 -5.319 6.072 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.401 -2.217 4.036 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.412 -1.322 2.885 1.00 0.00 C ATOM 1274 C PHE A 86 0.008 -1.044 2.400 1.00 0.00 C ATOM 1275 O PHE A 86 0.934 -0.911 3.200 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.108 -0.007 3.240 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.567 -0.169 3.561 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.485 -0.430 2.557 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.019 -0.061 4.866 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.828 -0.578 2.849 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.360 -0.209 5.164 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.266 -0.469 4.154 1.00 0.00 C ATOM 0 H PHE A 86 -0.563 -2.152 4.613 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.963 -1.811 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.604 0.443 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.002 0.687 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.148 -0.519 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.315 0.141 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.534 -0.779 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.700 -0.122 6.185 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.315 -0.587 4.385 1.00 0.00 H new ATOM 1292 N ARG A 87 0.171 -0.959 1.083 1.00 0.00 N ATOM 1293 CA ARG A 87 1.478 -0.698 0.491 1.00 0.00 C ATOM 1294 C ARG A 87 1.334 0.032 -0.842 1.00 0.00 C ATOM 1295 O ARG A 87 0.267 0.023 -1.455 1.00 0.00 O ATOM 1296 CB ARG A 87 2.239 -2.009 0.287 1.00 0.00 C ATOM 1297 CG ARG A 87 1.523 -2.995 -0.623 1.00 0.00 C ATOM 1298 CD ARG A 87 2.502 -3.948 -1.291 1.00 0.00 C ATOM 1299 NE ARG A 87 2.728 -5.149 -0.492 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.726 -5.998 -0.708 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.586 -5.779 -1.693 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.866 -7.069 0.062 1.00 0.00 N ATOM 0 H ARG A 87 -0.585 -1.067 0.407 1.00 0.00 H new ATOM 0 HA ARG A 87 2.040 -0.062 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.221 -1.788 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.405 -2.478 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.796 -3.565 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.966 -2.450 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.120 -4.232 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.451 -3.437 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 87 2.084 -5.347 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.482 -4.957 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.352 -6.433 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.207 -7.241 0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.633 -7.720 -0.105 1.00 0.00 H new ATOM 1316 N VAL A 88 2.417 0.664 -1.284 1.00 0.00 N ATOM 1317 CA VAL A 88 2.413 1.398 -2.543 1.00 0.00 C ATOM 1318 C VAL A 88 3.608 1.014 -3.408 1.00 0.00 C ATOM 1319 O VAL A 88 4.741 0.958 -2.930 1.00 0.00 O ATOM 1320 CB VAL A 88 2.433 2.920 -2.305 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.534 3.666 -3.627 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.198 3.354 -1.531 1.00 0.00 C ATOM 0 H VAL A 88 3.308 0.682 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 88 1.493 1.131 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 88 3.312 3.166 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.547 4.740 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.452 3.376 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.676 3.417 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.229 4.432 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.304 3.096 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.175 2.845 -0.567 1.00 0.00 H new ATOM 1332 N VAL A 89 3.348 0.750 -4.684 1.00 0.00 N ATOM 1333 CA VAL A 89 4.403 0.372 -5.617 1.00 0.00 C ATOM 1334 C VAL A 89 4.442 1.316 -6.814 1.00 0.00 C ATOM 1335 O VAL A 89 3.405 1.661 -7.379 1.00 0.00 O ATOM 1336 CB VAL A 89 4.216 -1.071 -6.121 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.299 -1.430 -7.127 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.215 -2.047 -4.955 1.00 0.00 C ATOM 0 H VAL A 89 2.416 0.791 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 89 5.345 0.440 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 89 3.251 -1.140 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.150 -2.453 -7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.246 -0.749 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.277 -1.345 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.082 -3.062 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.164 -1.979 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.399 -1.801 -4.276 1.00 0.00 H new ATOM 1348 N ALA A 90 5.646 1.730 -7.195 1.00 0.00 N ATOM 1349 CA ALA A 90 5.821 2.632 -8.327 1.00 0.00 C ATOM 1350 C ALA A 90 5.919 1.857 -9.636 1.00 0.00 C ATOM 1351 O ALA A 90 6.740 0.950 -9.773 1.00 0.00 O ATOM 1352 CB ALA A 90 7.059 3.494 -8.128 1.00 0.00 C ATOM 0 H ALA A 90 6.515 1.455 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 90 4.946 3.279 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.178 4.163 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.950 4.083 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.938 2.855 -8.043 1.00 0.00 H new ATOM 1358 N TYR A 91 5.075 2.219 -10.597 1.00 0.00 N ATOM 1359 CA TYR A 91 5.064 1.556 -11.895 1.00 0.00 C ATOM 1360 C TYR A 91 5.427 2.533 -13.009 1.00 0.00 C ATOM 1361 O TYR A 91 4.632 3.397 -13.375 1.00 0.00 O ATOM 1362 CB TYR A 91 3.690 0.942 -12.166 1.00 0.00 C ATOM 1363 CG TYR A 91 3.479 -0.395 -11.493 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.027 -0.471 -10.181 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.732 -1.582 -12.169 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.835 -1.691 -9.562 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.541 -2.807 -11.558 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.092 -2.856 -10.255 1.00 0.00 C ATOM 1369 OH TYR A 91 2.900 -4.073 -9.642 1.00 0.00 O ATOM 0 H TYR A 91 4.390 2.968 -10.501 1.00 0.00 H new ATOM 0 HA TYR A 91 5.811 0.762 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.919 1.635 -11.828 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.561 0.822 -13.242 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.822 0.439 -9.636 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.084 -1.547 -13.189 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.486 -1.733 -8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.742 -3.720 -12.098 1.00 0.00 H new ATOM 0 HH TYR A 91 3.125 -4.793 -10.267 1.00 0.00 H new ATOM 1379 N ASN A 92 6.635 2.387 -13.544 1.00 0.00 N ATOM 1380 CA ASN A 92 7.105 3.256 -14.617 1.00 0.00 C ATOM 1381 C ASN A 92 7.405 2.451 -15.878 1.00 0.00 C ATOM 1382 O ASN A 92 7.288 1.225 -15.887 1.00 0.00 O ATOM 1383 CB ASN A 92 8.356 4.017 -14.175 1.00 0.00 C ATOM 1384 CG ASN A 92 9.510 3.091 -13.845 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.348 1.871 -13.799 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.684 3.667 -13.612 1.00 0.00 N ATOM 0 H ASN A 92 7.306 1.676 -13.252 1.00 0.00 H new ATOM 0 HA ASN A 92 6.314 3.971 -14.843 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.659 4.703 -14.966 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.119 4.623 -13.301 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.497 3.094 -13.384 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.773 4.682 -13.661 1.00 0.00 H new ATOM 1393 N LYS A 93 7.795 3.147 -16.940 1.00 0.00 N ATOM 1394 CA LYS A 93 8.114 2.499 -18.206 1.00 0.00 C ATOM 1395 C LYS A 93 9.000 1.277 -17.983 1.00 0.00 C ATOM 1396 O LYS A 93 8.723 0.194 -18.499 1.00 0.00 O ATOM 1397 CB LYS A 93 8.814 3.484 -19.145 1.00 0.00 C ATOM 1398 CG LYS A 93 10.040 4.141 -18.535 1.00 0.00 C ATOM 1399 CD LYS A 93 10.645 5.172 -19.472 1.00 0.00 C ATOM 1400 CE LYS A 93 11.393 4.512 -20.620 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.342 5.452 -21.278 1.00 0.00 N ATOM 0 H LYS A 93 7.898 4.162 -16.949 1.00 0.00 H new ATOM 0 HA LYS A 93 7.180 2.172 -18.663 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.108 2.960 -20.054 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.106 4.259 -19.439 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.767 4.619 -17.594 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.784 3.379 -18.302 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.856 5.811 -19.870 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.326 5.816 -18.915 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.940 3.646 -20.247 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.678 4.144 -21.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.832 4.964 -22.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.818 6.266 -21.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.041 5.783 -20.583 1.00 0.00 H new ATOM 1415 N HIS A 94 10.067 1.458 -17.210 1.00 0.00 N ATOM 1416 CA HIS A 94 10.992 0.370 -16.916 1.00 0.00 C ATOM 1417 C HIS A 94 10.256 -0.821 -16.310 1.00 0.00 C ATOM 1418 O HIS A 94 10.191 -1.894 -16.908 1.00 0.00 O ATOM 1419 CB HIS A 94 12.088 0.847 -15.962 1.00 0.00 C ATOM 1420 CG HIS A 94 12.740 2.125 -16.391 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.164 2.358 -17.682 1.00 0.00 N ATOM 1422 CD2 HIS A 94 13.039 3.244 -15.691 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.697 3.564 -17.757 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.633 4.123 -16.562 1.00 0.00 N ATOM 0 H HIS A 94 10.312 2.348 -16.776 1.00 0.00 H new ATOM 0 HA HIS A 94 11.450 0.053 -17.853 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.660 0.982 -14.969 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.849 0.071 -15.878 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.846 3.414 -14.642 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.114 4.016 -18.645 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.970 5.056 -16.325 1.00 0.00 H new ATOM 1433 N GLY A 95 9.702 -0.624 -15.117 1.00 0.00 N ATOM 1434 CA GLY A 95 8.979 -1.690 -14.449 1.00 0.00 C ATOM 1435 C GLY A 95 8.703 -1.379 -12.991 1.00 0.00 C ATOM 1436 O GLY A 95 9.070 -0.321 -12.480 1.00 0.00 O ATOM 0 H GLY A 95 9.741 0.255 -14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.035 -1.863 -14.965 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.554 -2.613 -14.518 1.00 0.00 H new ATOM 1440 N PRO A 96 8.040 -2.316 -12.298 1.00 0.00 N ATOM 1441 CA PRO A 96 7.700 -2.159 -10.881 1.00 0.00 C ATOM 1442 C PRO A 96 8.928 -2.221 -9.979 1.00 0.00 C ATOM 1443 O PRO A 96 9.532 -3.279 -9.809 1.00 0.00 O ATOM 1444 CB PRO A 96 6.773 -3.346 -10.605 1.00 0.00 C ATOM 1445 CG PRO A 96 7.155 -4.368 -11.619 1.00 0.00 C ATOM 1446 CD PRO A 96 7.572 -3.601 -12.843 1.00 0.00 C ATOM 0 HA PRO A 96 7.246 -1.189 -10.676 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.906 -3.725 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.725 -3.062 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.969 -4.994 -11.254 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.318 -5.030 -11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.361 -4.116 -13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.741 -3.465 -13.535 1.00 0.00 H new ATOM 1454 N GLY A 97 9.292 -1.079 -9.402 1.00 0.00 N ATOM 1455 CA GLY A 97 10.446 -1.027 -8.525 1.00 0.00 C ATOM 1456 C GLY A 97 10.137 -1.530 -7.129 1.00 0.00 C ATOM 1457 O GLY A 97 9.120 -2.188 -6.909 1.00 0.00 O ATOM 0 H GLY A 97 8.808 -0.190 -9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.251 -1.624 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.808 -0.000 -8.466 1.00 0.00 H new ATOM 1461 N VAL A 98 11.017 -1.221 -6.181 1.00 0.00 N ATOM 1462 CA VAL A 98 10.833 -1.647 -4.799 1.00 0.00 C ATOM 1463 C VAL A 98 9.407 -1.385 -4.328 1.00 0.00 C ATOM 1464 O VAL A 98 8.638 -0.696 -4.998 1.00 0.00 O ATOM 1465 CB VAL A 98 11.815 -0.928 -3.855 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.246 -1.352 -4.149 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.661 0.580 -3.976 1.00 0.00 C ATOM 0 H VAL A 98 11.864 -0.677 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 98 11.031 -2.719 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 98 11.581 -1.213 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.925 -0.834 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.343 -2.428 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.496 -1.098 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.362 1.073 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.868 0.886 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.643 0.864 -3.711 1.00 0.00 H new ATOM 1477 N SER A 99 9.061 -1.938 -3.170 1.00 0.00 N ATOM 1478 CA SER A 99 7.726 -1.766 -2.610 1.00 0.00 C ATOM 1479 C SER A 99 7.800 -1.244 -1.178 1.00 0.00 C ATOM 1480 O SER A 99 8.544 -1.771 -0.350 1.00 0.00 O ATOM 1481 CB SER A 99 6.962 -3.091 -2.642 1.00 0.00 C ATOM 1482 OG SER A 99 5.791 -3.025 -1.846 1.00 0.00 O ATOM 0 H SER A 99 9.687 -2.509 -2.602 1.00 0.00 H new ATOM 0 HA SER A 99 7.196 -1.034 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.693 -3.334 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.605 -3.894 -2.282 1.00 0.00 H new ATOM 0 HG SER A 99 5.904 -3.587 -1.051 1.00 0.00 H new ATOM 1488 N THR A 100 7.024 -0.203 -0.893 1.00 0.00 N ATOM 1489 CA THR A 100 7.001 0.393 0.436 1.00 0.00 C ATOM 1490 C THR A 100 6.621 -0.637 1.494 1.00 0.00 C ATOM 1491 O THR A 100 6.004 -1.662 1.203 1.00 0.00 O ATOM 1492 CB THR A 100 6.014 1.573 0.507 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.853 1.288 -0.282 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.668 2.855 0.013 1.00 0.00 C ATOM 0 H THR A 100 6.402 0.245 -1.566 1.00 0.00 H new ATOM 0 HA THR A 100 8.008 0.760 0.634 1.00 0.00 H new ATOM 0 HB THR A 100 5.720 1.711 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.025 1.530 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.952 3.675 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.534 3.084 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.987 2.726 -1.021 1.00 0.00 H new ATOM 1502 N PRO A 101 6.995 -0.361 2.752 1.00 0.00 N ATOM 1503 CA PRO A 101 6.701 -1.252 3.879 1.00 0.00 C ATOM 1504 C PRO A 101 5.216 -1.281 4.223 1.00 0.00 C ATOM 1505 O PRO A 101 4.580 -0.236 4.357 1.00 0.00 O ATOM 1506 CB PRO A 101 7.505 -0.643 5.030 1.00 0.00 C ATOM 1507 CG PRO A 101 7.651 0.796 4.672 1.00 0.00 C ATOM 1508 CD PRO A 101 7.733 0.842 3.171 1.00 0.00 C ATOM 0 HA PRO A 101 6.961 -2.287 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.987 -0.763 5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.477 -1.126 5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.803 1.377 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.546 1.222 5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.281 1.750 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.766 0.821 2.824 1.00 0.00 H new ATOM 1516 N ASP A 102 4.671 -2.484 4.365 1.00 0.00 N ATOM 1517 CA ASP A 102 3.260 -2.649 4.695 1.00 0.00 C ATOM 1518 C ASP A 102 2.846 -1.690 5.807 1.00 0.00 C ATOM 1519 O ASP A 102 3.634 -1.382 6.701 1.00 0.00 O ATOM 1520 CB ASP A 102 2.979 -4.092 5.118 1.00 0.00 C ATOM 1521 CG ASP A 102 4.098 -4.678 5.957 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.116 -5.103 5.372 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.956 -4.712 7.197 1.00 0.00 O ATOM 0 H ASP A 102 5.184 -3.359 4.257 1.00 0.00 H new ATOM 0 HA ASP A 102 2.675 -2.419 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.048 -4.127 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.835 -4.707 4.229 1.00 0.00 H new ATOM 1528 N VAL A 103 1.604 -1.220 5.744 1.00 0.00 N ATOM 1529 CA VAL A 103 1.085 -0.295 6.745 1.00 0.00 C ATOM 1530 C VAL A 103 -0.217 -0.811 7.347 1.00 0.00 C ATOM 1531 O VAL A 103 -1.303 -0.363 6.979 1.00 0.00 O ATOM 1532 CB VAL A 103 0.843 1.103 6.146 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.172 2.011 7.165 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.152 1.708 5.660 1.00 0.00 C ATOM 0 H VAL A 103 0.939 -1.465 5.011 1.00 0.00 H new ATOM 0 HA VAL A 103 1.839 -0.220 7.528 1.00 0.00 H new ATOM 0 HB VAL A 103 0.176 1.002 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.009 2.994 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.786 1.582 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.811 2.108 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.962 2.696 5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.845 1.797 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.588 1.066 4.895 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.101 -1.756 8.275 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.269 -2.331 8.930 1.00 0.00 C ATOM 1546 C ALA A 104 -1.953 -1.308 9.830 1.00 0.00 C ATOM 1547 O ALA A 104 -1.319 -0.708 10.698 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.872 -3.561 9.732 1.00 0.00 C ATOM 0 H ALA A 104 0.790 -2.139 8.590 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.979 -2.628 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.754 -3.980 10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.436 -4.305 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.141 -3.281 10.490 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.250 -1.113 9.618 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.021 -0.163 10.412 1.00 0.00 C ATOM 1556 C VAL A 105 -5.377 -0.742 10.798 1.00 0.00 C ATOM 1557 O VAL A 105 -5.976 -1.506 10.041 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.237 1.158 9.650 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.100 0.930 8.418 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.862 2.202 10.563 1.00 0.00 C ATOM 0 H VAL A 105 -3.790 -1.600 8.903 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.445 0.037 11.315 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.267 1.530 9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.241 1.875 7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.608 0.217 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.070 0.535 8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.008 3.129 10.009 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.825 1.840 10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.202 2.386 11.411 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.856 -0.373 11.982 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.142 -0.856 12.470 1.00 0.00 C ATOM 1572 C ARG A 106 -8.228 0.198 12.277 1.00 0.00 C ATOM 1573 O ARG A 106 -8.111 1.323 12.764 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.041 -1.234 13.949 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.181 -2.116 14.432 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.288 -2.106 15.949 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.200 -2.848 16.579 1.00 0.00 N ATOM 1578 CZ ARG A 106 -7.213 -4.165 16.755 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -8.253 -4.881 16.350 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -6.184 -4.768 17.337 1.00 0.00 N ATOM 0 H ARG A 106 -5.373 0.259 12.621 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.412 -1.741 11.893 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.096 -1.750 14.120 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.019 -0.323 14.547 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.119 -1.771 13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.025 -3.137 14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.279 -1.076 16.306 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.243 -2.539 16.248 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.385 -2.327 16.902 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.046 -4.421 15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.260 -5.892 16.486 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.382 -4.220 17.650 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.195 -5.779 17.472 1.00 0.00 H new ATOM 1594 N THR A 107 -9.285 -0.173 11.562 1.00 0.00 N ATOM 1595 CA THR A 107 -10.391 0.740 11.302 1.00 0.00 C ATOM 1596 C THR A 107 -11.082 1.149 12.598 1.00 0.00 C ATOM 1597 O THR A 107 -10.756 0.645 13.673 1.00 0.00 O ATOM 1598 CB THR A 107 -11.431 0.109 10.356 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.660 -1.257 10.721 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.962 0.181 8.911 1.00 0.00 C ATOM 0 H THR A 107 -9.399 -1.100 11.152 1.00 0.00 H new ATOM 0 HA THR A 107 -9.966 1.623 10.825 1.00 0.00 H new ATOM 0 HB THR A 107 -12.361 0.670 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.615 -1.461 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.712 -0.270 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.817 1.223 8.627 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.020 -0.358 8.807 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.038 2.065 12.489 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.777 2.542 13.653 1.00 0.00 C ATOM 1610 C LEU A 108 -13.790 1.501 14.120 1.00 0.00 C ATOM 1611 O LEU A 108 -14.297 0.713 13.322 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.491 3.854 13.326 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.639 4.934 12.659 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.506 6.103 12.219 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.542 5.407 13.603 1.00 0.00 C ATOM 0 H LEU A 108 -12.320 2.492 11.607 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.064 2.715 14.459 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.336 3.632 12.674 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.900 4.262 14.250 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.170 4.504 11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.882 6.861 11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.254 5.754 11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.005 6.533 13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.945 6.176 13.112 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.992 5.819 14.506 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.902 4.565 13.868 1.00 0.00 H new ATOM 1627 N SER A 109 -14.081 1.506 15.416 1.00 0.00 N ATOM 1628 CA SER A 109 -15.032 0.561 15.989 1.00 0.00 C ATOM 1629 C SER A 109 -16.444 1.139 15.981 1.00 0.00 C ATOM 1630 O SER A 109 -16.655 2.297 16.341 1.00 0.00 O ATOM 1631 CB SER A 109 -14.626 0.199 17.419 1.00 0.00 C ATOM 1632 OG SER A 109 -15.010 1.213 18.331 1.00 0.00 O ATOM 0 H SER A 109 -13.672 2.154 16.089 1.00 0.00 H new ATOM 0 HA SER A 109 -15.023 -0.341 15.377 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.090 -0.745 17.704 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.547 0.052 17.468 1.00 0.00 H new ATOM 0 HG SER A 109 -14.741 0.957 19.238 1.00 0.00 H new ATOM 1638 N ASP A 110 -17.408 0.324 15.568 1.00 0.00 N ATOM 1639 CA ASP A 110 -18.801 0.752 15.513 1.00 0.00 C ATOM 1640 C ASP A 110 -19.606 0.131 16.651 1.00 0.00 C ATOM 1641 O ASP A 110 -20.241 0.837 17.433 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.421 0.374 14.167 1.00 0.00 C ATOM 1643 CG ASP A 110 -20.675 1.169 13.864 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -20.816 2.286 14.404 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -21.517 0.674 13.085 1.00 0.00 O ATOM 0 H ASP A 110 -17.250 -0.637 15.266 1.00 0.00 H new ATOM 0 HA ASP A 110 -18.827 1.836 15.624 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -18.690 0.538 13.375 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -19.659 -0.690 14.166 1.00 0.00 H new ATOM 1650 N SER A 111 -19.575 -1.196 16.735 1.00 0.00 N ATOM 1651 CA SER A 111 -20.306 -1.913 17.773 1.00 0.00 C ATOM 1652 C SER A 111 -19.475 -2.016 19.049 1.00 0.00 C ATOM 1653 O SER A 111 -18.298 -2.372 19.009 1.00 0.00 O ATOM 1654 CB SER A 111 -20.687 -3.311 17.284 1.00 0.00 C ATOM 1655 OG SER A 111 -21.616 -3.923 18.163 1.00 0.00 O ATOM 0 H SER A 111 -19.052 -1.795 16.097 1.00 0.00 H new ATOM 0 HA SER A 111 -21.215 -1.354 17.996 1.00 0.00 H new ATOM 0 HB2 SER A 111 -21.116 -3.246 16.284 1.00 0.00 H new ATOM 0 HB3 SER A 111 -19.793 -3.929 17.207 1.00 0.00 H new ATOM 0 HG SER A 111 -21.845 -4.815 17.828 1.00 0.00 H new ATOM 1661 N GLY A 112 -20.099 -1.703 20.181 1.00 0.00 N ATOM 1662 CA GLY A 112 -19.403 -1.767 21.453 1.00 0.00 C ATOM 1663 C GLY A 112 -18.427 -2.924 21.523 1.00 0.00 C ATOM 1664 O GLY A 112 -18.651 -3.989 20.947 1.00 0.00 O ATOM 0 H GLY A 112 -21.073 -1.407 20.240 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -18.866 -0.833 21.617 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -20.132 -1.862 22.258 1.00 0.00 H new ATOM 1668 N PRO A 113 -17.313 -2.721 22.241 1.00 0.00 N ATOM 1669 CA PRO A 113 -16.275 -3.745 22.400 1.00 0.00 C ATOM 1670 C PRO A 113 -16.740 -4.910 23.267 1.00 0.00 C ATOM 1671 O PRO A 113 -17.180 -4.717 24.400 1.00 0.00 O ATOM 1672 CB PRO A 113 -15.134 -2.990 23.086 1.00 0.00 C ATOM 1673 CG PRO A 113 -15.799 -1.865 23.801 1.00 0.00 C ATOM 1674 CD PRO A 113 -16.980 -1.477 22.954 1.00 0.00 C ATOM 0 HA PRO A 113 -15.995 -4.193 21.447 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -14.593 -3.635 23.779 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.409 -2.624 22.359 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.117 -2.170 24.798 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.116 -1.025 23.927 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.814 -1.128 23.563 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.731 -0.672 22.263 1.00 0.00 H new ATOM 1682 N SER A 114 -16.638 -6.121 22.727 1.00 0.00 N ATOM 1683 CA SER A 114 -17.050 -7.318 23.450 1.00 0.00 C ATOM 1684 C SER A 114 -18.258 -7.028 24.337 1.00 0.00 C ATOM 1685 O SER A 114 -18.322 -7.472 25.483 1.00 0.00 O ATOM 1686 CB SER A 114 -15.895 -7.849 24.301 1.00 0.00 C ATOM 1687 OG SER A 114 -15.441 -6.866 25.215 1.00 0.00 O ATOM 0 H SER A 114 -16.273 -6.298 21.791 1.00 0.00 H new ATOM 0 HA SER A 114 -17.331 -8.075 22.718 1.00 0.00 H new ATOM 0 HB2 SER A 114 -16.219 -8.735 24.847 1.00 0.00 H new ATOM 0 HB3 SER A 114 -15.073 -8.155 23.654 1.00 0.00 H new ATOM 0 HG SER A 114 -14.704 -7.231 25.748 1.00 0.00 H new ATOM 1693 N SER A 115 -19.214 -6.279 23.796 1.00 0.00 N ATOM 1694 CA SER A 115 -20.419 -5.925 24.538 1.00 0.00 C ATOM 1695 C SER A 115 -21.076 -7.168 25.130 1.00 0.00 C ATOM 1696 O SER A 115 -21.345 -8.138 24.424 1.00 0.00 O ATOM 1697 CB SER A 115 -21.408 -5.195 23.628 1.00 0.00 C ATOM 1698 OG SER A 115 -22.280 -4.369 24.380 1.00 0.00 O ATOM 0 H SER A 115 -19.178 -5.906 22.847 1.00 0.00 H new ATOM 0 HA SER A 115 -20.132 -5.263 25.355 1.00 0.00 H new ATOM 0 HB2 SER A 115 -20.862 -4.589 22.905 1.00 0.00 H new ATOM 0 HB3 SER A 115 -21.990 -5.922 23.061 1.00 0.00 H new ATOM 0 HG SER A 115 -22.901 -3.912 23.775 1.00 0.00 H new ATOM 1704 N GLY A 116 -21.334 -7.129 26.434 1.00 0.00 N ATOM 1705 CA GLY A 116 -21.958 -8.257 27.101 1.00 0.00 C ATOM 1706 C GLY A 116 -20.968 -9.357 27.429 1.00 0.00 C ATOM 1707 O GLY A 116 -21.008 -10.434 26.836 1.00 0.00 O ATOM 0 H GLY A 116 -21.122 -6.337 27.040 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -22.433 -7.914 28.020 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -22.747 -8.660 26.466 1.00 0.00 H new TER 1711 GLY A 116