USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 68 ASN : amide:sc= 0.753 K(o=1.6,f=-1.9) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -152:sc= 0.866 (180deg=0) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= -0.582 USER MOD Set 2.2: A 33 GLN : amide:sc= 0.19 K(o=-0.39,f=-4.3!) USER MOD Single : A 20 MET CE :methyl 168:sc= -0.0123 (180deg=-0.223) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 41 LYS NZ :NH3+ 150:sc= 0.956 (180deg=0.356) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.35) USER MOD Single : A 51 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-1.3) USER MOD Single : A 53 SER OG : rot -114:sc= 0.399 USER MOD Single : A 55 SER OG : rot -60:sc= 0.595 USER MOD Single : A 60 HIS : no HE2:sc= 0.201 K(o=0.2,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc=-0.00394 (180deg=-0.0618) USER MOD Single : A 65 ASN : amide:sc= -0.703 K(o=-0.7,f=-4.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -26:sc= 0.0957 USER MOD Single : A 74 ASN : amide:sc= -0.895 K(o=-0.9,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ -112:sc= -0.248 (180deg=-3.29!) USER MOD Single : A 77 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 80 THR OG1 : rot 79:sc= 0.939 USER MOD Single : A 82 TYR OH : rot 164:sc= -0.875! USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 84 HIS : no HD1:sc= -0.338 K(o=-0.34,f=-0.85) USER MOD Single : A 88 THR OG1 : rot -61:sc= -0.957 USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0512) USER MOD Single : A 92 LYS NZ :NH3+ -138:sc= 0.767 (180deg=0.0681) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 -8.164 -9.183 16.043 1.00 0.00 N ATOM 2 CA MET A 20 -8.364 -7.981 15.207 1.00 0.00 C ATOM 3 C MET A 20 -7.100 -7.721 14.374 1.00 0.00 C ATOM 4 O MET A 20 -6.061 -7.321 14.917 1.00 0.00 O ATOM 5 CB MET A 20 -8.709 -6.745 16.083 1.00 0.00 C ATOM 6 CG MET A 20 -8.909 -5.440 15.290 1.00 0.00 C ATOM 7 SD MET A 20 -10.275 -5.521 14.105 1.00 0.00 S ATOM 8 CE MET A 20 -11.699 -5.699 15.193 1.00 0.00 C ATOM 0 HA MET A 20 -9.205 -8.154 14.536 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.618 -6.956 16.647 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.911 -6.596 16.810 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.092 -4.623 15.989 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.989 -5.203 14.756 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.615 -5.548 14.622 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.703 -6.699 15.626 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.642 -4.958 15.991 1.00 0.00 H new ATOM 18 N ALA A 21 -7.179 -8.008 13.066 1.00 0.00 N ATOM 19 CA ALA A 21 -6.143 -7.642 12.098 1.00 0.00 C ATOM 20 C ALA A 21 -6.351 -6.168 11.724 1.00 0.00 C ATOM 21 O ALA A 21 -7.176 -5.836 10.865 1.00 0.00 O ATOM 22 CB ALA A 21 -6.183 -8.573 10.867 1.00 0.00 C ATOM 0 H ALA A 21 -7.969 -8.503 12.651 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.151 -7.765 12.532 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.404 -8.280 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.017 -9.603 11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.157 -8.495 10.383 1.00 0.00 H new ATOM 28 N ALA A 22 -5.633 -5.295 12.442 1.00 0.00 N ATOM 29 CA ALA A 22 -5.758 -3.828 12.331 1.00 0.00 C ATOM 30 C ALA A 22 -4.758 -3.235 11.310 1.00 0.00 C ATOM 31 O ALA A 22 -4.551 -2.019 11.279 1.00 0.00 O ATOM 32 CB ALA A 22 -5.571 -3.193 13.726 1.00 0.00 C ATOM 0 H ALA A 22 -4.937 -5.588 13.128 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.755 -3.595 11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.663 -2.110 13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.334 -3.574 14.404 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.584 -3.447 14.112 1.00 0.00 H new ATOM 38 N ALA A 23 -4.163 -4.093 10.454 1.00 0.00 N ATOM 39 CA ALA A 23 -3.243 -3.666 9.376 1.00 0.00 C ATOM 40 C ALA A 23 -4.055 -3.228 8.140 1.00 0.00 C ATOM 41 O ALA A 23 -3.927 -3.793 7.041 1.00 0.00 O ATOM 42 CB ALA A 23 -2.256 -4.808 9.055 1.00 0.00 C ATOM 0 H ALA A 23 -4.307 -5.102 10.490 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.656 -2.807 9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.579 -4.492 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.679 -5.052 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.811 -5.688 8.730 1.00 0.00 H new ATOM 48 N VAL A 24 -4.911 -2.215 8.352 1.00 0.00 N ATOM 49 CA VAL A 24 -5.837 -1.694 7.333 1.00 0.00 C ATOM 50 C VAL A 24 -5.094 -0.703 6.408 1.00 0.00 C ATOM 51 O VAL A 24 -4.370 0.173 6.899 1.00 0.00 O ATOM 52 CB VAL A 24 -7.105 -1.017 8.002 1.00 0.00 C ATOM 53 CG1 VAL A 24 -7.907 -2.060 8.830 1.00 0.00 C ATOM 54 CG2 VAL A 24 -6.728 0.213 8.878 1.00 0.00 C ATOM 0 H VAL A 24 -4.980 -1.729 9.246 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.199 -2.528 6.731 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.736 -0.648 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.774 -1.577 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.240 -2.865 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.270 -2.470 9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.631 0.640 9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.054 -0.101 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.234 0.962 8.260 1.00 0.00 H new ATOM 64 N PRO A 25 -5.225 -0.831 5.050 1.00 0.00 N ATOM 65 CA PRO A 25 -4.548 0.067 4.106 1.00 0.00 C ATOM 66 C PRO A 25 -5.208 1.454 4.044 1.00 0.00 C ATOM 67 O PRO A 25 -6.245 1.657 3.395 1.00 0.00 O ATOM 68 CB PRO A 25 -4.632 -0.674 2.768 1.00 0.00 C ATOM 69 CG PRO A 25 -5.879 -1.490 2.871 1.00 0.00 C ATOM 70 CD PRO A 25 -6.037 -1.854 4.341 1.00 0.00 C ATOM 0 HA PRO A 25 -3.520 0.277 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.681 0.022 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.757 -1.304 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.742 -0.926 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.808 -2.386 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.081 -1.821 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.676 -2.862 4.544 1.00 0.00 H new ATOM 78 N GLN A 26 -4.616 2.370 4.799 1.00 0.00 N ATOM 79 CA GLN A 26 -4.931 3.793 4.738 1.00 0.00 C ATOM 80 C GLN A 26 -4.275 4.327 3.462 1.00 0.00 C ATOM 81 O GLN A 26 -3.091 4.687 3.474 1.00 0.00 O ATOM 82 CB GLN A 26 -4.411 4.530 6.010 1.00 0.00 C ATOM 83 CG GLN A 26 -4.983 3.998 7.346 1.00 0.00 C ATOM 84 CD GLN A 26 -4.512 4.792 8.571 1.00 0.00 C ATOM 85 OE1 GLN A 26 -3.414 5.351 8.592 1.00 0.00 O ATOM 86 NE2 GLN A 26 -5.338 4.847 9.603 1.00 0.00 N ATOM 0 H GLN A 26 -3.893 2.143 5.481 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.007 3.963 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.324 4.452 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.652 5.589 5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.072 4.024 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.694 2.954 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.241 4.375 9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.072 5.361 10.443 1.00 0.00 H new ATOM 95 N ARG A 27 -5.034 4.251 2.344 1.00 0.00 N ATOM 96 CA ARG A 27 -4.519 4.558 1.009 1.00 0.00 C ATOM 97 C ARG A 27 -3.917 5.977 0.964 1.00 0.00 C ATOM 98 O ARG A 27 -4.557 6.956 1.368 1.00 0.00 O ATOM 99 CB ARG A 27 -5.589 4.353 -0.100 1.00 0.00 C ATOM 100 CG ARG A 27 -6.732 5.380 -0.163 1.00 0.00 C ATOM 101 CD ARG A 27 -7.804 5.144 0.902 1.00 0.00 C ATOM 102 NE ARG A 27 -8.858 6.180 0.881 1.00 0.00 N ATOM 103 CZ ARG A 27 -10.182 5.948 0.972 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.672 4.708 0.918 1.00 0.00 N ATOM 105 NH2 ARG A 27 -11.011 6.971 1.063 1.00 0.00 N ATOM 0 H ARG A 27 -6.016 3.975 2.352 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.720 3.847 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.082 4.351 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.028 3.364 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.320 6.382 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.193 5.343 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.258 4.165 0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.336 5.126 1.886 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.558 7.151 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.041 3.915 0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.678 4.554 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.647 7.924 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.016 6.809 1.132 1.00 0.00 H new ATOM 119 N ALA A 28 -2.672 6.046 0.511 1.00 0.00 N ATOM 120 CA ALA A 28 -1.840 7.254 0.600 1.00 0.00 C ATOM 121 C ALA A 28 -1.983 8.126 -0.652 1.00 0.00 C ATOM 122 O ALA A 28 -1.940 9.358 -0.580 1.00 0.00 O ATOM 123 CB ALA A 28 -0.370 6.848 0.808 1.00 0.00 C ATOM 0 H ALA A 28 -2.200 5.259 0.065 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.179 7.846 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.249 7.743 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.278 6.274 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.038 6.239 -0.033 1.00 0.00 H new ATOM 129 N TRP A 29 -2.150 7.462 -1.800 1.00 0.00 N ATOM 130 CA TRP A 29 -2.080 8.106 -3.118 1.00 0.00 C ATOM 131 C TRP A 29 -3.427 8.054 -3.837 1.00 0.00 C ATOM 132 O TRP A 29 -4.227 7.132 -3.635 1.00 0.00 O ATOM 133 CB TRP A 29 -0.994 7.425 -3.980 1.00 0.00 C ATOM 134 CG TRP A 29 0.347 7.345 -3.294 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.078 8.386 -2.785 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.104 6.156 -3.031 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.246 7.916 -2.248 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.287 6.554 -2.388 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.900 4.801 -3.294 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.257 5.642 -1.990 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.865 3.898 -2.896 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.035 4.323 -2.257 1.00 0.00 C ATOM 0 H TRP A 29 -2.338 6.460 -1.843 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.820 9.154 -2.967 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.323 6.419 -4.239 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.884 7.974 -4.915 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.777 9.423 -2.805 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.970 8.488 -1.813 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.006 4.466 -3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.156 5.966 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.714 2.845 -3.081 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.777 3.592 -1.970 1.00 0.00 H new ATOM 153 N THR A 30 -3.669 9.070 -4.668 1.00 0.00 N ATOM 154 CA THR A 30 -4.823 9.125 -5.564 1.00 0.00 C ATOM 155 C THR A 30 -4.444 8.497 -6.918 1.00 0.00 C ATOM 156 O THR A 30 -3.256 8.263 -7.177 1.00 0.00 O ATOM 157 CB THR A 30 -5.283 10.601 -5.764 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.218 11.356 -6.364 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.703 11.262 -4.430 1.00 0.00 C ATOM 0 H THR A 30 -3.061 9.886 -4.737 1.00 0.00 H new ATOM 0 HA THR A 30 -5.649 8.566 -5.124 1.00 0.00 H new ATOM 0 HB THR A 30 -6.155 10.594 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.506 12.284 -6.492 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.016 12.289 -4.616 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.531 10.704 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.859 11.259 -3.741 1.00 0.00 H new ATOM 167 N VAL A 31 -5.452 8.259 -7.779 1.00 0.00 N ATOM 168 CA VAL A 31 -5.271 7.604 -9.102 1.00 0.00 C ATOM 169 C VAL A 31 -4.165 8.282 -9.959 1.00 0.00 C ATOM 170 O VAL A 31 -3.335 7.600 -10.575 1.00 0.00 O ATOM 171 CB VAL A 31 -6.641 7.528 -9.887 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.369 8.895 -9.915 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.465 6.954 -11.323 1.00 0.00 C ATOM 0 H VAL A 31 -6.420 8.514 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.931 6.587 -8.908 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.273 6.831 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.305 8.797 -10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.579 9.217 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.736 9.634 -10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.433 6.921 -11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.786 7.592 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.053 5.947 -11.264 1.00 0.00 H new ATOM 183 N GLU A 32 -4.151 9.625 -9.936 1.00 0.00 N ATOM 184 CA GLU A 32 -3.204 10.458 -10.707 1.00 0.00 C ATOM 185 C GLU A 32 -1.780 10.428 -10.106 1.00 0.00 C ATOM 186 O GLU A 32 -0.799 10.449 -10.859 1.00 0.00 O ATOM 187 CB GLU A 32 -3.734 11.912 -10.798 1.00 0.00 C ATOM 188 CG GLU A 32 -3.967 12.595 -9.447 1.00 0.00 C ATOM 189 CD GLU A 32 -4.621 13.972 -9.586 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.916 14.943 -9.928 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.847 14.079 -9.380 1.00 0.00 O ATOM 0 H GLU A 32 -4.804 10.173 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.132 10.040 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.025 12.507 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.671 11.908 -11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.598 11.959 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.014 12.701 -8.929 1.00 0.00 H new ATOM 198 N GLN A 33 -1.673 10.382 -8.751 1.00 0.00 N ATOM 199 CA GLN A 33 -0.365 10.246 -8.051 1.00 0.00 C ATOM 200 C GLN A 33 0.314 8.927 -8.452 1.00 0.00 C ATOM 201 O GLN A 33 1.530 8.888 -8.671 1.00 0.00 O ATOM 202 CB GLN A 33 -0.527 10.318 -6.506 1.00 0.00 C ATOM 203 CG GLN A 33 -0.977 11.684 -5.971 1.00 0.00 C ATOM 204 CD GLN A 33 -1.010 11.736 -4.443 1.00 0.00 C ATOM 205 OE1 GLN A 33 -2.025 11.443 -3.823 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.102 12.107 -3.824 1.00 0.00 N ATOM 0 H GLN A 33 -2.474 10.437 -8.122 1.00 0.00 H new ATOM 0 HA GLN A 33 0.263 11.083 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.251 9.565 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.424 10.057 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.303 12.456 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.969 11.913 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.932 12.345 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.127 12.154 -2.805 1.00 0.00 H new ATOM 215 N LEU A 34 -0.507 7.875 -8.593 1.00 0.00 N ATOM 216 CA LEU A 34 -0.046 6.539 -9.008 1.00 0.00 C ATOM 217 C LEU A 34 0.543 6.586 -10.428 1.00 0.00 C ATOM 218 O LEU A 34 1.558 5.969 -10.702 1.00 0.00 O ATOM 219 CB LEU A 34 -1.215 5.542 -8.995 1.00 0.00 C ATOM 220 CG LEU A 34 -1.968 5.362 -7.657 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.295 4.621 -7.893 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.086 4.649 -6.598 1.00 0.00 C ATOM 0 H LEU A 34 -1.511 7.926 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 34 0.722 6.218 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.936 5.855 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.834 4.568 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.199 6.348 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.818 4.499 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.917 5.197 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.093 3.640 -8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.648 4.540 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.799 3.664 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.190 5.242 -6.412 1.00 0.00 H new ATOM 234 N ARG A 35 -0.129 7.342 -11.318 1.00 0.00 N ATOM 235 CA ARG A 35 0.285 7.498 -12.728 1.00 0.00 C ATOM 236 C ARG A 35 1.574 8.339 -12.850 1.00 0.00 C ATOM 237 O ARG A 35 2.363 8.140 -13.786 1.00 0.00 O ATOM 238 CB ARG A 35 -0.853 8.137 -13.573 1.00 0.00 C ATOM 239 CG ARG A 35 -2.138 7.283 -13.665 1.00 0.00 C ATOM 240 CD ARG A 35 -3.102 7.761 -14.767 1.00 0.00 C ATOM 241 NE ARG A 35 -2.472 7.685 -16.110 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.121 7.608 -17.281 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.442 7.523 -17.331 1.00 0.00 N ATOM 244 NH2 ARG A 35 -2.428 7.617 -18.407 1.00 0.00 N ATOM 0 H ARG A 35 -0.974 7.862 -11.081 1.00 0.00 H new ATOM 0 HA ARG A 35 0.493 6.501 -13.117 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.106 9.107 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.481 8.321 -14.581 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.865 6.245 -13.855 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.653 7.307 -12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.005 7.151 -14.752 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.408 8.787 -14.565 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.453 7.692 -16.145 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.986 7.515 -16.468 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.916 7.465 -18.233 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.410 7.682 -18.379 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.911 7.559 -19.304 1.00 0.00 H new ATOM 258 N SER A 36 1.769 9.277 -11.905 1.00 0.00 N ATOM 259 CA SER A 36 2.945 10.164 -11.876 1.00 0.00 C ATOM 260 C SER A 36 4.224 9.351 -11.608 1.00 0.00 C ATOM 261 O SER A 36 4.377 8.776 -10.532 1.00 0.00 O ATOM 262 CB SER A 36 2.765 11.263 -10.805 1.00 0.00 C ATOM 263 OG SER A 36 3.854 12.180 -10.806 1.00 0.00 O ATOM 0 H SER A 36 1.115 9.441 -11.140 1.00 0.00 H new ATOM 0 HA SER A 36 3.041 10.645 -12.849 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.835 11.801 -10.988 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.678 10.802 -9.821 1.00 0.00 H new ATOM 0 HG SER A 36 3.707 12.863 -10.118 1.00 0.00 H new ATOM 269 N GLU A 37 5.126 9.301 -12.606 1.00 0.00 N ATOM 270 CA GLU A 37 6.370 8.508 -12.540 1.00 0.00 C ATOM 271 C GLU A 37 7.422 9.142 -11.595 1.00 0.00 C ATOM 272 O GLU A 37 8.436 8.506 -11.283 1.00 0.00 O ATOM 273 CB GLU A 37 6.935 8.301 -13.969 1.00 0.00 C ATOM 274 CG GLU A 37 5.946 7.608 -14.932 1.00 0.00 C ATOM 275 CD GLU A 37 6.517 7.401 -16.347 1.00 0.00 C ATOM 276 OE1 GLU A 37 7.141 6.344 -16.601 1.00 0.00 O ATOM 277 OE2 GLU A 37 6.346 8.284 -17.215 1.00 0.00 O ATOM 0 H GLU A 37 5.013 9.810 -13.483 1.00 0.00 H new ATOM 0 HA GLU A 37 6.129 7.534 -12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.214 9.270 -14.384 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.846 7.706 -13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.663 6.641 -14.517 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.036 8.205 -14.999 1.00 0.00 H new ATOM 284 N GLN A 38 7.175 10.400 -11.158 1.00 0.00 N ATOM 285 CA GLN A 38 7.908 11.042 -10.034 1.00 0.00 C ATOM 286 C GLN A 38 7.804 10.157 -8.771 1.00 0.00 C ATOM 287 O GLN A 38 8.754 10.034 -7.985 1.00 0.00 O ATOM 288 CB GLN A 38 7.312 12.457 -9.759 1.00 0.00 C ATOM 289 CG GLN A 38 7.515 13.485 -10.900 1.00 0.00 C ATOM 290 CD GLN A 38 8.954 14.008 -11.020 1.00 0.00 C ATOM 291 OE1 GLN A 38 9.666 14.138 -10.022 1.00 0.00 O ATOM 292 NE2 GLN A 38 9.400 14.306 -12.235 1.00 0.00 N ATOM 0 H GLN A 38 6.463 11.000 -11.573 1.00 0.00 H new ATOM 0 HA GLN A 38 8.960 11.150 -10.299 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.244 12.354 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.761 12.854 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.226 13.025 -11.845 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.845 14.329 -10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.791 14.190 -13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.352 14.651 -12.358 1.00 0.00 H new ATOM 301 N LEU A 39 6.621 9.559 -8.603 1.00 0.00 N ATOM 302 CA LEU A 39 6.350 8.529 -7.596 1.00 0.00 C ATOM 303 C LEU A 39 6.931 7.193 -8.133 1.00 0.00 C ATOM 304 O LEU A 39 6.658 6.852 -9.284 1.00 0.00 O ATOM 305 CB LEU A 39 4.803 8.462 -7.377 1.00 0.00 C ATOM 306 CG LEU A 39 4.276 7.867 -6.030 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.793 8.213 -5.834 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.484 6.344 -5.913 1.00 0.00 C ATOM 0 H LEU A 39 5.807 9.782 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 39 6.814 8.745 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.408 9.474 -7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.376 7.876 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 39 4.870 8.326 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.442 7.791 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.672 9.296 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.211 7.798 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.096 5.996 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.955 5.841 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.548 6.116 -5.978 1.00 0.00 H new ATOM 320 N PRO A 40 7.765 6.442 -7.342 1.00 0.00 N ATOM 321 CA PRO A 40 8.305 5.109 -7.753 1.00 0.00 C ATOM 322 C PRO A 40 7.226 4.035 -8.036 1.00 0.00 C ATOM 323 O PRO A 40 6.033 4.246 -7.817 1.00 0.00 O ATOM 324 CB PRO A 40 9.194 4.692 -6.543 1.00 0.00 C ATOM 325 CG PRO A 40 9.532 5.985 -5.872 1.00 0.00 C ATOM 326 CD PRO A 40 8.293 6.841 -6.014 1.00 0.00 C ATOM 0 HA PRO A 40 8.837 5.185 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.660 4.022 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.091 4.167 -6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.785 5.830 -4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.394 6.459 -6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.574 6.646 -5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.530 7.904 -5.976 1.00 0.00 H new ATOM 334 N LYS A 41 7.679 2.882 -8.555 1.00 0.00 N ATOM 335 CA LYS A 41 6.835 1.690 -8.759 1.00 0.00 C ATOM 336 C LYS A 41 6.924 0.748 -7.549 1.00 0.00 C ATOM 337 O LYS A 41 5.938 0.100 -7.183 1.00 0.00 O ATOM 338 CB LYS A 41 7.248 0.947 -10.073 1.00 0.00 C ATOM 339 CG LYS A 41 6.814 1.688 -11.358 1.00 0.00 C ATOM 340 CD LYS A 41 7.132 0.930 -12.659 1.00 0.00 C ATOM 341 CE LYS A 41 8.624 0.940 -12.989 1.00 0.00 C ATOM 342 NZ LYS A 41 8.915 0.187 -14.227 1.00 0.00 N ATOM 0 H LYS A 41 8.647 2.749 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 41 5.799 2.014 -8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.330 0.818 -10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.809 -0.050 -10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.741 1.875 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.306 2.660 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.790 -0.101 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.577 1.379 -13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.965 1.969 -13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.183 0.507 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.748 0.597 -14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.105 -0.808 -13.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.097 0.241 -14.867 1.00 0.00 H new ATOM 356 N LYS A 42 8.098 0.736 -6.914 1.00 0.00 N ATOM 357 CA LYS A 42 8.437 -0.203 -5.832 1.00 0.00 C ATOM 358 C LYS A 42 7.545 -0.014 -4.585 1.00 0.00 C ATOM 359 O LYS A 42 7.098 -0.989 -3.986 1.00 0.00 O ATOM 360 CB LYS A 42 9.940 -0.036 -5.464 1.00 0.00 C ATOM 361 CG LYS A 42 10.339 1.402 -5.035 1.00 0.00 C ATOM 362 CD LYS A 42 11.857 1.596 -4.831 1.00 0.00 C ATOM 363 CE LYS A 42 12.433 0.692 -3.736 1.00 0.00 C ATOM 364 NZ LYS A 42 13.872 0.963 -3.496 1.00 0.00 N ATOM 0 H LYS A 42 8.853 1.385 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 42 8.253 -1.215 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.182 -0.724 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.546 -0.328 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.991 2.106 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.823 1.650 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.373 1.395 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.054 2.637 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.876 0.842 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.303 -0.352 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.224 0.331 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.408 0.796 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.994 1.952 -3.199 1.00 0.00 H new ATOM 378 N ASP A 43 7.282 1.247 -4.229 1.00 0.00 N ATOM 379 CA ASP A 43 6.521 1.602 -3.009 1.00 0.00 C ATOM 380 C ASP A 43 5.031 1.253 -3.141 1.00 0.00 C ATOM 381 O ASP A 43 4.388 0.920 -2.146 1.00 0.00 O ATOM 382 CB ASP A 43 6.716 3.108 -2.627 1.00 0.00 C ATOM 383 CG ASP A 43 6.423 4.127 -3.732 1.00 0.00 C ATOM 384 OD1 ASP A 43 6.224 3.732 -4.893 1.00 0.00 O ATOM 385 OD2 ASP A 43 6.434 5.342 -3.428 1.00 0.00 O ATOM 0 H ASP A 43 7.586 2.055 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 43 6.926 0.998 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.074 3.332 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.745 3.247 -2.296 1.00 0.00 H new ATOM 390 N ILE A 44 4.485 1.342 -4.367 1.00 0.00 N ATOM 391 CA ILE A 44 3.081 0.951 -4.641 1.00 0.00 C ATOM 392 C ILE A 44 2.924 -0.575 -4.507 1.00 0.00 C ATOM 393 O ILE A 44 2.017 -1.053 -3.832 1.00 0.00 O ATOM 394 CB ILE A 44 2.593 1.416 -6.071 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.901 2.932 -6.300 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.081 1.125 -6.258 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.479 3.476 -7.660 1.00 0.00 C ATOM 0 H ILE A 44 4.990 1.680 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 44 2.456 1.456 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 44 3.143 0.844 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.401 3.510 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.972 3.092 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.767 1.453 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.901 0.055 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.511 1.662 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.734 4.534 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.998 2.930 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.403 3.354 -7.783 1.00 0.00 H new ATOM 409 N ILE A 45 3.832 -1.321 -5.155 1.00 0.00 N ATOM 410 CA ILE A 45 3.853 -2.806 -5.097 1.00 0.00 C ATOM 411 C ILE A 45 4.054 -3.298 -3.650 1.00 0.00 C ATOM 412 O ILE A 45 3.410 -4.257 -3.216 1.00 0.00 O ATOM 413 CB ILE A 45 4.996 -3.375 -6.017 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.777 -2.893 -7.479 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.092 -4.926 -5.948 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.907 -3.202 -8.437 1.00 0.00 C ATOM 0 H ILE A 45 4.572 -0.923 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 45 2.891 -3.170 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 45 5.947 -2.990 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.863 -3.348 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.616 -1.815 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.895 -5.270 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.300 -5.232 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.148 -5.364 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.657 -2.825 -9.429 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.822 -2.723 -8.087 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.058 -4.280 -8.486 1.00 0.00 H new ATOM 428 N LYS A 46 4.934 -2.594 -2.918 1.00 0.00 N ATOM 429 CA LYS A 46 5.229 -2.876 -1.503 1.00 0.00 C ATOM 430 C LYS A 46 3.970 -2.679 -0.631 1.00 0.00 C ATOM 431 O LYS A 46 3.667 -3.504 0.226 1.00 0.00 O ATOM 432 CB LYS A 46 6.366 -1.952 -0.999 1.00 0.00 C ATOM 433 CG LYS A 46 6.770 -2.178 0.475 1.00 0.00 C ATOM 434 CD LYS A 46 7.829 -1.168 0.954 1.00 0.00 C ATOM 435 CE LYS A 46 8.190 -1.346 2.437 1.00 0.00 C ATOM 436 NZ LYS A 46 9.073 -0.255 2.922 1.00 0.00 N ATOM 0 H LYS A 46 5.464 -1.808 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 46 5.549 -3.915 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.243 -2.099 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.055 -0.915 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.886 -2.101 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.158 -3.190 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.729 -1.278 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.458 -0.156 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.278 -1.368 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.687 -2.306 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.295 -0.409 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.954 -0.250 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.589 0.659 2.811 1.00 0.00 H new ATOM 450 N PHE A 47 3.258 -1.572 -0.900 1.00 0.00 N ATOM 451 CA PHE A 47 1.988 -1.221 -0.217 1.00 0.00 C ATOM 452 C PHE A 47 0.966 -2.363 -0.419 1.00 0.00 C ATOM 453 O PHE A 47 0.399 -2.896 0.547 1.00 0.00 O ATOM 454 CB PHE A 47 1.453 0.128 -0.820 1.00 0.00 C ATOM 455 CG PHE A 47 0.285 0.828 -0.103 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.464 0.202 0.883 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.041 2.142 -0.424 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.500 0.853 1.518 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.080 2.798 0.211 1.00 0.00 C ATOM 460 CZ PHE A 47 -1.805 2.152 1.186 1.00 0.00 C ATOM 0 H PHE A 47 3.543 -0.888 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 47 2.148 -1.093 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.287 0.829 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.146 -0.064 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.231 -0.816 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.528 2.659 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.073 0.342 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.322 3.816 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.612 2.664 1.689 1.00 0.00 H new ATOM 470 N LEU A 48 0.784 -2.736 -1.686 1.00 0.00 N ATOM 471 CA LEU A 48 -0.218 -3.722 -2.120 1.00 0.00 C ATOM 472 C LEU A 48 0.086 -5.149 -1.625 1.00 0.00 C ATOM 473 O LEU A 48 -0.841 -5.923 -1.401 1.00 0.00 O ATOM 474 CB LEU A 48 -0.333 -3.685 -3.662 1.00 0.00 C ATOM 475 CG LEU A 48 -0.854 -2.334 -4.244 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.830 -2.319 -5.791 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.257 -2.013 -3.697 1.00 0.00 C ATOM 0 H LEU A 48 1.336 -2.358 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.171 -3.447 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.646 -3.896 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.001 -4.485 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.173 -1.549 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.201 -1.360 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.192 -2.467 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.464 -3.120 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.603 -1.067 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.948 -2.808 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.215 -1.936 -2.611 1.00 0.00 H new ATOM 489 N GLN A 49 1.379 -5.503 -1.476 1.00 0.00 N ATOM 490 CA GLN A 49 1.769 -6.842 -0.974 1.00 0.00 C ATOM 491 C GLN A 49 1.758 -6.889 0.565 1.00 0.00 C ATOM 492 O GLN A 49 1.558 -7.960 1.160 1.00 0.00 O ATOM 493 CB GLN A 49 3.130 -7.307 -1.558 1.00 0.00 C ATOM 494 CG GLN A 49 4.360 -6.564 -1.036 1.00 0.00 C ATOM 495 CD GLN A 49 5.692 -7.110 -1.568 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.692 -7.091 -0.857 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.734 -7.550 -2.824 1.00 0.00 N ATOM 0 H GLN A 49 2.165 -4.890 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 49 1.019 -7.551 -1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.252 -8.369 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.096 -7.200 -2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.277 -5.511 -1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.367 -6.615 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.886 -7.554 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.614 -7.883 -3.219 1.00 0.00 H new ATOM 506 N GLU A 50 1.979 -5.729 1.198 1.00 0.00 N ATOM 507 CA GLU A 50 1.994 -5.596 2.666 1.00 0.00 C ATOM 508 C GLU A 50 0.567 -5.639 3.248 1.00 0.00 C ATOM 509 O GLU A 50 0.332 -6.193 4.329 1.00 0.00 O ATOM 510 CB GLU A 50 2.697 -4.272 3.054 1.00 0.00 C ATOM 511 CG GLU A 50 2.704 -3.939 4.559 1.00 0.00 C ATOM 512 CD GLU A 50 3.480 -2.651 4.890 1.00 0.00 C ATOM 513 OE1 GLU A 50 3.131 -1.585 4.346 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.442 -2.697 5.690 1.00 0.00 O ATOM 0 H GLU A 50 2.153 -4.852 0.707 1.00 0.00 H new ATOM 0 HA GLU A 50 2.544 -6.438 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.729 -4.313 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.212 -3.454 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.676 -3.836 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.144 -4.772 5.107 1.00 0.00 H new ATOM 521 N HIS A 51 -0.379 -5.038 2.508 1.00 0.00 N ATOM 522 CA HIS A 51 -1.767 -4.853 2.975 1.00 0.00 C ATOM 523 C HIS A 51 -2.746 -5.776 2.247 1.00 0.00 C ATOM 524 O HIS A 51 -3.699 -6.247 2.859 1.00 0.00 O ATOM 525 CB HIS A 51 -2.180 -3.377 2.819 1.00 0.00 C ATOM 526 CG HIS A 51 -1.471 -2.467 3.784 1.00 0.00 C ATOM 527 ND1 HIS A 51 -0.337 -1.757 3.463 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.759 -2.148 5.069 1.00 0.00 C ATOM 529 CE1 HIS A 51 0.043 -1.051 4.510 1.00 0.00 C ATOM 530 NE2 HIS A 51 -0.799 -1.270 5.491 1.00 0.00 N ATOM 0 H HIS A 51 -0.207 -4.668 1.573 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.805 -5.124 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.971 -3.052 1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.256 -3.288 2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.590 -2.518 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.904 -0.401 4.552 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.746 -0.852 6.420 1.00 0.00 H new ATOM 539 N GLY A 52 -2.512 -6.036 0.953 1.00 0.00 N ATOM 540 CA GLY A 52 -3.343 -6.970 0.184 1.00 0.00 C ATOM 541 C GLY A 52 -3.218 -8.419 0.653 1.00 0.00 C ATOM 542 O GLY A 52 -2.401 -8.732 1.525 1.00 0.00 O ATOM 0 H GLY A 52 -1.754 -5.612 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.386 -6.661 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.065 -6.911 -0.868 1.00 0.00 H new ATOM 546 N SER A 53 -4.057 -9.299 0.094 1.00 0.00 N ATOM 547 CA SER A 53 -4.017 -10.750 0.381 1.00 0.00 C ATOM 548 C SER A 53 -3.160 -11.468 -0.677 1.00 0.00 C ATOM 549 O SER A 53 -2.945 -10.933 -1.767 1.00 0.00 O ATOM 550 CB SER A 53 -5.454 -11.305 0.385 1.00 0.00 C ATOM 551 OG SER A 53 -6.108 -11.039 -0.845 1.00 0.00 O ATOM 0 H SER A 53 -4.784 -9.033 -0.570 1.00 0.00 H new ATOM 0 HA SER A 53 -3.568 -10.921 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.431 -12.380 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.017 -10.858 1.204 1.00 0.00 H new ATOM 0 HG SER A 53 -6.855 -10.423 -0.692 1.00 0.00 H new ATOM 557 N ASP A 54 -2.708 -12.699 -0.354 1.00 0.00 N ATOM 558 CA ASP A 54 -1.807 -13.484 -1.235 1.00 0.00 C ATOM 559 C ASP A 54 -2.483 -13.832 -2.583 1.00 0.00 C ATOM 560 O ASP A 54 -1.816 -13.875 -3.622 1.00 0.00 O ATOM 561 CB ASP A 54 -1.321 -14.774 -0.518 1.00 0.00 C ATOM 562 CG ASP A 54 -2.469 -15.699 -0.063 1.00 0.00 C ATOM 563 OD1 ASP A 54 -3.003 -15.493 1.054 1.00 0.00 O ATOM 564 OD2 ASP A 54 -2.858 -16.617 -0.821 1.00 0.00 O ATOM 0 H ASP A 54 -2.952 -13.175 0.514 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.940 -12.860 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.665 -15.327 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.725 -14.494 0.351 1.00 0.00 H new ATOM 569 N SER A 55 -3.809 -14.064 -2.541 1.00 0.00 N ATOM 570 CA SER A 55 -4.627 -14.364 -3.738 1.00 0.00 C ATOM 571 C SER A 55 -4.715 -13.123 -4.657 1.00 0.00 C ATOM 572 O SER A 55 -4.619 -13.246 -5.881 1.00 0.00 O ATOM 573 CB SER A 55 -6.044 -14.833 -3.308 1.00 0.00 C ATOM 574 OG SER A 55 -6.813 -15.288 -4.409 1.00 0.00 O ATOM 0 H SER A 55 -4.347 -14.049 -1.675 1.00 0.00 H new ATOM 0 HA SER A 55 -4.151 -15.168 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.953 -15.634 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.565 -14.010 -2.818 1.00 0.00 H new ATOM 0 HG SER A 55 -6.913 -14.563 -5.060 1.00 0.00 H new ATOM 580 N PHE A 56 -4.852 -11.934 -4.035 1.00 0.00 N ATOM 581 CA PHE A 56 -4.804 -10.622 -4.725 1.00 0.00 C ATOM 582 C PHE A 56 -3.440 -10.441 -5.432 1.00 0.00 C ATOM 583 O PHE A 56 -3.369 -9.898 -6.544 1.00 0.00 O ATOM 584 CB PHE A 56 -5.071 -9.486 -3.677 1.00 0.00 C ATOM 585 CG PHE A 56 -4.740 -8.063 -4.135 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.552 -7.390 -5.040 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.605 -7.405 -3.658 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.235 -6.112 -5.459 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.290 -6.130 -4.075 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.104 -5.483 -4.976 1.00 0.00 C ATOM 0 H PHE A 56 -5.001 -11.854 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.576 -10.573 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.123 -9.520 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.491 -9.702 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.441 -7.871 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.962 -7.905 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.873 -5.603 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.406 -5.640 -3.695 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.859 -4.484 -5.305 1.00 0.00 H new ATOM 600 N LEU A 57 -2.370 -10.923 -4.774 1.00 0.00 N ATOM 601 CA LEU A 57 -0.997 -10.793 -5.285 1.00 0.00 C ATOM 602 C LEU A 57 -0.721 -11.759 -6.443 1.00 0.00 C ATOM 603 O LEU A 57 -0.015 -11.406 -7.368 1.00 0.00 O ATOM 604 CB LEU A 57 0.035 -11.031 -4.167 1.00 0.00 C ATOM 605 CG LEU A 57 -0.089 -10.137 -2.914 1.00 0.00 C ATOM 606 CD1 LEU A 57 1.090 -10.385 -1.960 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.234 -8.645 -3.290 1.00 0.00 C ATOM 0 H LEU A 57 -2.434 -11.410 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.900 -9.773 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.037 -12.072 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.031 -10.893 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.003 -10.410 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.988 -9.747 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.094 -11.430 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.025 -10.154 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.319 -8.048 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.642 -8.325 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.128 -8.508 -3.899 1.00 0.00 H new ATOM 619 N ALA A 58 -1.244 -12.994 -6.357 1.00 0.00 N ATOM 620 CA ALA A 58 -1.030 -14.038 -7.385 1.00 0.00 C ATOM 621 C ALA A 58 -1.718 -13.643 -8.703 1.00 0.00 C ATOM 622 O ALA A 58 -1.123 -13.713 -9.786 1.00 0.00 O ATOM 623 CB ALA A 58 -1.555 -15.394 -6.875 1.00 0.00 C ATOM 0 H ALA A 58 -1.826 -13.300 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 58 0.039 -14.132 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.394 -16.156 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.022 -15.672 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.621 -15.314 -6.661 1.00 0.00 H new ATOM 629 N GLU A 59 -2.979 -13.201 -8.573 1.00 0.00 N ATOM 630 CA GLU A 59 -3.809 -12.751 -9.705 1.00 0.00 C ATOM 631 C GLU A 59 -3.258 -11.459 -10.360 1.00 0.00 C ATOM 632 O GLU A 59 -3.510 -11.211 -11.542 1.00 0.00 O ATOM 633 CB GLU A 59 -5.274 -12.560 -9.216 1.00 0.00 C ATOM 634 CG GLU A 59 -5.938 -13.877 -8.739 1.00 0.00 C ATOM 635 CD GLU A 59 -7.311 -13.684 -8.067 1.00 0.00 C ATOM 636 OE1 GLU A 59 -8.275 -13.286 -8.753 1.00 0.00 O ATOM 637 OE2 GLU A 59 -7.442 -13.938 -6.854 1.00 0.00 O ATOM 0 H GLU A 59 -3.456 -13.145 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.782 -13.517 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.286 -11.839 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.867 -12.135 -10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.055 -14.542 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.269 -14.375 -8.037 1.00 0.00 H new ATOM 644 N HIS A 60 -2.514 -10.630 -9.591 1.00 0.00 N ATOM 645 CA HIS A 60 -1.949 -9.345 -10.099 1.00 0.00 C ATOM 646 C HIS A 60 -0.404 -9.325 -10.096 1.00 0.00 C ATOM 647 O HIS A 60 0.194 -8.271 -10.289 1.00 0.00 O ATOM 648 CB HIS A 60 -2.524 -8.160 -9.284 1.00 0.00 C ATOM 649 CG HIS A 60 -4.025 -8.086 -9.321 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.797 -7.970 -8.195 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.887 -8.147 -10.362 1.00 0.00 C ATOM 652 CE1 HIS A 60 -6.071 -7.963 -8.534 1.00 0.00 C ATOM 653 NE2 HIS A 60 -6.155 -8.072 -9.843 1.00 0.00 N ATOM 0 H HIS A 60 -2.288 -10.823 -8.615 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.250 -9.246 -11.142 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.197 -8.248 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.112 -7.228 -9.671 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.441 -7.900 -7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.626 -8.238 -11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.905 -7.882 -7.853 1.00 0.00 H new ATOM 662 N LYS A 61 0.216 -10.489 -9.834 1.00 0.00 N ATOM 663 CA LYS A 61 1.696 -10.696 -9.933 1.00 0.00 C ATOM 664 C LYS A 61 2.516 -9.729 -9.029 1.00 0.00 C ATOM 665 O LYS A 61 3.690 -9.471 -9.297 1.00 0.00 O ATOM 666 CB LYS A 61 2.152 -10.610 -11.423 1.00 0.00 C ATOM 667 CG LYS A 61 1.443 -11.619 -12.358 1.00 0.00 C ATOM 668 CD LYS A 61 1.629 -13.088 -11.900 1.00 0.00 C ATOM 669 CE LYS A 61 0.899 -14.094 -12.803 1.00 0.00 C ATOM 670 NZ LYS A 61 1.396 -14.045 -14.200 1.00 0.00 N ATOM 0 H LYS A 61 -0.288 -11.327 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 61 1.904 -11.697 -9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.970 -9.600 -11.790 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.228 -10.778 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.379 -11.386 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.832 -11.506 -13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.692 -13.326 -11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.264 -13.193 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.031 -15.101 -12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.170 -13.884 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.965 -14.816 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.142 -13.132 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.430 -14.153 -14.204 1.00 0.00 H new ATOM 684 N LEU A 62 1.893 -9.261 -7.927 1.00 0.00 N ATOM 685 CA LEU A 62 2.495 -8.272 -6.997 1.00 0.00 C ATOM 686 C LEU A 62 3.347 -8.947 -5.899 1.00 0.00 C ATOM 687 O LEU A 62 4.039 -8.255 -5.146 1.00 0.00 O ATOM 688 CB LEU A 62 1.378 -7.412 -6.354 1.00 0.00 C ATOM 689 CG LEU A 62 0.525 -6.560 -7.343 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.707 -5.967 -6.640 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.380 -5.458 -8.026 1.00 0.00 C ATOM 0 H LEU A 62 0.956 -9.557 -7.653 1.00 0.00 H new ATOM 0 HA LEU A 62 3.163 -7.635 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.709 -8.072 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.835 -6.741 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 62 0.167 -7.223 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.284 -5.378 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.327 -6.774 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.384 -5.328 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.754 -4.883 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.793 -4.795 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.194 -5.922 -8.583 1.00 0.00 H new ATOM 703 N LEU A 63 3.270 -10.295 -5.802 1.00 0.00 N ATOM 704 CA LEU A 63 4.096 -11.077 -4.857 1.00 0.00 C ATOM 705 C LEU A 63 5.514 -11.289 -5.410 1.00 0.00 C ATOM 706 O LEU A 63 5.768 -11.080 -6.602 1.00 0.00 O ATOM 707 CB LEU A 63 3.395 -12.424 -4.463 1.00 0.00 C ATOM 708 CG LEU A 63 2.772 -13.315 -5.603 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.829 -13.952 -6.526 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.837 -14.395 -4.999 1.00 0.00 C ATOM 0 H LEU A 63 2.641 -10.864 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 63 4.198 -10.501 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.125 -13.033 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.600 -12.188 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 63 2.185 -12.647 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.332 -14.552 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.413 -13.167 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.490 -14.588 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.416 -15.001 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.407 -15.033 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.031 -13.911 -4.448 1.00 0.00 H new ATOM 722 N GLY A 64 6.417 -11.720 -4.520 1.00 0.00 N ATOM 723 CA GLY A 64 7.818 -11.952 -4.865 1.00 0.00 C ATOM 724 C GLY A 64 8.676 -10.732 -4.595 1.00 0.00 C ATOM 725 O GLY A 64 8.275 -9.836 -3.833 1.00 0.00 O ATOM 0 H GLY A 64 6.194 -11.916 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.198 -12.797 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.893 -12.222 -5.918 1.00 0.00 H new ATOM 729 N ASN A 65 9.870 -10.706 -5.204 1.00 0.00 N ATOM 730 CA ASN A 65 10.831 -9.611 -5.032 1.00 0.00 C ATOM 731 C ASN A 65 10.297 -8.346 -5.718 1.00 0.00 C ATOM 732 O ASN A 65 10.074 -8.359 -6.926 1.00 0.00 O ATOM 733 CB ASN A 65 12.213 -10.019 -5.599 1.00 0.00 C ATOM 734 CG ASN A 65 13.276 -8.936 -5.406 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.532 -8.130 -6.301 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.879 -8.898 -4.223 1.00 0.00 N ATOM 0 H ASN A 65 10.195 -11.444 -5.829 1.00 0.00 H new ATOM 0 HA ASN A 65 10.957 -9.399 -3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.544 -10.937 -5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.114 -10.239 -6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.581 -8.183 -4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.640 -9.583 -3.506 1.00 0.00 H new ATOM 743 N ILE A 66 10.152 -7.263 -4.935 1.00 0.00 N ATOM 744 CA ILE A 66 9.455 -6.018 -5.352 1.00 0.00 C ATOM 745 C ILE A 66 10.138 -5.377 -6.573 1.00 0.00 C ATOM 746 O ILE A 66 9.465 -4.934 -7.503 1.00 0.00 O ATOM 747 CB ILE A 66 9.431 -4.968 -4.176 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.803 -5.587 -2.894 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.698 -3.662 -4.572 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.847 -4.698 -1.660 1.00 0.00 C ATOM 0 H ILE A 66 10.517 -7.220 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 66 8.435 -6.296 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 66 10.466 -4.703 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.764 -5.840 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.320 -6.520 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.707 -2.970 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.203 -3.205 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.667 -3.891 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.386 -5.218 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.883 -4.464 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.303 -3.774 -1.858 1.00 0.00 H new ATOM 762 N LYS A 67 11.473 -5.318 -6.522 1.00 0.00 N ATOM 763 CA LYS A 67 12.329 -4.799 -7.607 1.00 0.00 C ATOM 764 C LYS A 67 12.086 -5.571 -8.927 1.00 0.00 C ATOM 765 O LYS A 67 11.961 -4.977 -10.005 1.00 0.00 O ATOM 766 CB LYS A 67 13.812 -4.935 -7.154 1.00 0.00 C ATOM 767 CG LYS A 67 14.202 -4.049 -5.939 1.00 0.00 C ATOM 768 CD LYS A 67 15.419 -4.589 -5.149 1.00 0.00 C ATOM 769 CE LYS A 67 16.602 -4.983 -6.043 1.00 0.00 C ATOM 770 NZ LYS A 67 17.789 -5.381 -5.243 1.00 0.00 N ATOM 0 H LYS A 67 12.004 -5.635 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 67 12.088 -3.754 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.007 -5.978 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.459 -4.682 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.424 -3.041 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.348 -3.971 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.747 -3.830 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.109 -5.457 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.308 -5.808 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.864 -4.146 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.567 -5.640 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.085 -4.586 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.547 -6.196 -4.644 1.00 0.00 H new ATOM 784 N ASN A 68 11.983 -6.902 -8.802 1.00 0.00 N ATOM 785 CA ASN A 68 11.776 -7.812 -9.943 1.00 0.00 C ATOM 786 C ASN A 68 10.329 -7.703 -10.488 1.00 0.00 C ATOM 787 O ASN A 68 10.092 -7.917 -11.677 1.00 0.00 O ATOM 788 CB ASN A 68 12.113 -9.270 -9.521 1.00 0.00 C ATOM 789 CG ASN A 68 12.078 -10.275 -10.679 1.00 0.00 C ATOM 790 OD1 ASN A 68 13.092 -10.530 -11.330 1.00 0.00 O ATOM 791 ND2 ASN A 68 10.911 -10.837 -10.957 1.00 0.00 N ATOM 0 H ASN A 68 12.041 -7.382 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 68 12.447 -7.521 -10.751 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.104 -9.287 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.407 -9.589 -8.755 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.835 -11.501 -11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.088 -10.606 -10.400 1.00 0.00 H new ATOM 798 N VAL A 69 9.368 -7.374 -9.603 1.00 0.00 N ATOM 799 CA VAL A 69 7.973 -7.100 -10.015 1.00 0.00 C ATOM 800 C VAL A 69 7.901 -5.745 -10.745 1.00 0.00 C ATOM 801 O VAL A 69 7.227 -5.610 -11.757 1.00 0.00 O ATOM 802 CB VAL A 69 6.973 -7.090 -8.795 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.508 -6.815 -9.249 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.059 -8.407 -7.985 1.00 0.00 C ATOM 0 H VAL A 69 9.530 -7.291 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 69 7.671 -7.908 -10.681 1.00 0.00 H new ATOM 0 HB VAL A 69 7.275 -6.271 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.851 -6.816 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.456 -5.844 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.191 -7.592 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.358 -8.368 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.809 -9.248 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.072 -8.533 -7.602 1.00 0.00 H new ATOM 814 N ALA A 70 8.669 -4.768 -10.241 1.00 0.00 N ATOM 815 CA ALA A 70 8.667 -3.373 -10.733 1.00 0.00 C ATOM 816 C ALA A 70 9.318 -3.226 -12.123 1.00 0.00 C ATOM 817 O ALA A 70 9.233 -2.159 -12.725 1.00 0.00 O ATOM 818 CB ALA A 70 9.347 -2.452 -9.696 1.00 0.00 C ATOM 0 H ALA A 70 9.319 -4.921 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 70 7.627 -3.070 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.343 -1.426 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.803 -2.502 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.375 -2.777 -9.539 1.00 0.00 H new ATOM 824 N LYS A 71 9.950 -4.298 -12.639 1.00 0.00 N ATOM 825 CA LYS A 71 10.567 -4.281 -13.985 1.00 0.00 C ATOM 826 C LYS A 71 9.532 -4.694 -15.062 1.00 0.00 C ATOM 827 O LYS A 71 9.705 -4.387 -16.242 1.00 0.00 O ATOM 828 CB LYS A 71 11.801 -5.238 -14.042 1.00 0.00 C ATOM 829 CG LYS A 71 11.450 -6.735 -14.230 1.00 0.00 C ATOM 830 CD LYS A 71 12.665 -7.676 -14.119 1.00 0.00 C ATOM 831 CE LYS A 71 12.299 -9.145 -14.382 1.00 0.00 C ATOM 832 NZ LYS A 71 13.459 -10.046 -14.162 1.00 0.00 N ATOM 0 H LYS A 71 10.048 -5.186 -12.147 1.00 0.00 H new ATOM 0 HA LYS A 71 10.904 -3.264 -14.188 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.449 -4.925 -14.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.374 -5.126 -13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.710 -7.022 -13.483 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.985 -6.870 -15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.429 -7.363 -14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.100 -7.586 -13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.480 -9.439 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.942 -9.254 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.362 -10.890 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.338 -9.547 -14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.491 -10.333 -13.163 1.00 0.00 H new ATOM 846 N THR A 72 8.446 -5.378 -14.631 1.00 0.00 N ATOM 847 CA THR A 72 7.504 -6.070 -15.535 1.00 0.00 C ATOM 848 C THR A 72 6.040 -5.676 -15.250 1.00 0.00 C ATOM 849 O THR A 72 5.149 -5.959 -16.059 1.00 0.00 O ATOM 850 CB THR A 72 7.694 -7.624 -15.400 1.00 0.00 C ATOM 851 OG1 THR A 72 6.864 -8.337 -16.332 1.00 0.00 O ATOM 852 CG2 THR A 72 7.396 -8.121 -13.976 1.00 0.00 C ATOM 0 H THR A 72 8.200 -5.464 -13.645 1.00 0.00 H new ATOM 0 HA THR A 72 7.725 -5.763 -16.557 1.00 0.00 H new ATOM 0 HB THR A 72 8.742 -7.823 -15.625 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.081 -7.792 -16.556 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.540 -9.200 -13.930 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.071 -7.634 -13.272 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.365 -7.881 -13.715 1.00 0.00 H new ATOM 860 N ALA A 73 5.804 -5.033 -14.104 1.00 0.00 N ATOM 861 CA ALA A 73 4.490 -4.499 -13.721 1.00 0.00 C ATOM 862 C ALA A 73 4.531 -2.984 -13.927 1.00 0.00 C ATOM 863 O ALA A 73 5.142 -2.264 -13.126 1.00 0.00 O ATOM 864 CB ALA A 73 4.149 -4.865 -12.261 1.00 0.00 C ATOM 0 H ALA A 73 6.528 -4.865 -13.405 1.00 0.00 H new ATOM 0 HA ALA A 73 3.705 -4.936 -14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.171 -4.458 -12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.131 -5.949 -12.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.904 -4.447 -11.595 1.00 0.00 H new ATOM 870 N ASN A 74 3.948 -2.518 -15.047 1.00 0.00 N ATOM 871 CA ASN A 74 4.028 -1.102 -15.464 1.00 0.00 C ATOM 872 C ASN A 74 3.185 -0.205 -14.543 1.00 0.00 C ATOM 873 O ASN A 74 2.456 -0.705 -13.680 1.00 0.00 O ATOM 874 CB ASN A 74 3.604 -0.926 -16.953 1.00 0.00 C ATOM 875 CG ASN A 74 2.118 -1.199 -17.235 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.518 -2.095 -16.650 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.510 -0.405 -18.110 1.00 0.00 N ATOM 0 H ASN A 74 3.412 -3.106 -15.685 1.00 0.00 H new ATOM 0 HA ASN A 74 5.069 -0.791 -15.375 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.838 0.092 -17.265 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.205 -1.594 -17.569 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.518 -0.532 -18.311 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.035 0.332 -18.581 1.00 0.00 H new ATOM 884 N LYS A 75 3.273 1.118 -14.747 1.00 0.00 N ATOM 885 CA LYS A 75 2.640 2.101 -13.855 1.00 0.00 C ATOM 886 C LYS A 75 1.101 1.968 -13.894 1.00 0.00 C ATOM 887 O LYS A 75 0.443 2.043 -12.850 1.00 0.00 O ATOM 888 CB LYS A 75 3.107 3.551 -14.208 1.00 0.00 C ATOM 889 CG LYS A 75 3.222 4.477 -12.979 1.00 0.00 C ATOM 890 CD LYS A 75 4.271 3.942 -11.973 1.00 0.00 C ATOM 891 CE LYS A 75 4.299 4.693 -10.641 1.00 0.00 C ATOM 892 NZ LYS A 75 4.585 6.130 -10.814 1.00 0.00 N ATOM 0 H LYS A 75 3.780 1.534 -15.528 1.00 0.00 H new ATOM 0 HA LYS A 75 2.958 1.895 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.075 3.501 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.404 3.988 -14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.501 5.480 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.252 4.558 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.069 2.889 -11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.259 3.998 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.339 4.574 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.055 4.250 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.520 6.348 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.577 6.366 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.860 6.690 -10.322 1.00 0.00 H new ATOM 906 N ASP A 76 0.561 1.695 -15.102 1.00 0.00 N ATOM 907 CA ASP A 76 -0.890 1.509 -15.325 1.00 0.00 C ATOM 908 C ASP A 76 -1.416 0.270 -14.574 1.00 0.00 C ATOM 909 O ASP A 76 -2.540 0.286 -14.065 1.00 0.00 O ATOM 910 CB ASP A 76 -1.218 1.374 -16.834 1.00 0.00 C ATOM 911 CG ASP A 76 -0.804 2.594 -17.670 1.00 0.00 C ATOM 912 OD1 ASP A 76 -1.486 3.640 -17.594 1.00 0.00 O ATOM 913 OD2 ASP A 76 0.202 2.516 -18.407 1.00 0.00 O ATOM 0 H ASP A 76 1.119 1.597 -15.950 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.387 2.398 -14.935 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.718 0.489 -17.227 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.290 1.212 -16.950 1.00 0.00 H new ATOM 918 N HIS A 77 -0.587 -0.791 -14.499 1.00 0.00 N ATOM 919 CA HIS A 77 -0.894 -2.036 -13.756 1.00 0.00 C ATOM 920 C HIS A 77 -1.102 -1.735 -12.265 1.00 0.00 C ATOM 921 O HIS A 77 -1.996 -2.293 -11.626 1.00 0.00 O ATOM 922 CB HIS A 77 0.277 -3.040 -13.944 1.00 0.00 C ATOM 923 CG HIS A 77 0.223 -4.317 -13.135 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.116 -5.532 -13.682 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.568 -4.582 -11.845 1.00 0.00 C ATOM 926 CE1 HIS A 77 0.026 -6.477 -12.780 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.440 -5.929 -11.657 1.00 0.00 N ATOM 0 H HIS A 77 0.324 -0.810 -14.956 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.815 -2.471 -14.145 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.326 -3.309 -14.999 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.207 -2.525 -13.703 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.885 -3.860 -11.106 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.165 -7.529 -12.934 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.633 -6.428 -10.789 1.00 0.00 H new ATOM 936 N LEU A 78 -0.227 -0.867 -11.730 1.00 0.00 N ATOM 937 CA LEU A 78 -0.194 -0.518 -10.299 1.00 0.00 C ATOM 938 C LEU A 78 -1.433 0.282 -9.887 1.00 0.00 C ATOM 939 O LEU A 78 -1.958 0.092 -8.794 1.00 0.00 O ATOM 940 CB LEU A 78 1.095 0.268 -9.971 1.00 0.00 C ATOM 941 CG LEU A 78 2.424 -0.422 -10.396 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.631 0.373 -9.896 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.479 -1.901 -9.948 1.00 0.00 C ATOM 0 H LEU A 78 0.482 -0.384 -12.282 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.197 -1.446 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.040 1.242 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.127 0.449 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 78 2.459 -0.430 -11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.549 -0.127 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.605 1.377 -10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.600 0.436 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.424 -2.343 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.400 -1.955 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.652 -2.449 -10.400 1.00 0.00 H new ATOM 955 N VAL A 79 -1.885 1.164 -10.793 1.00 0.00 N ATOM 956 CA VAL A 79 -3.114 1.958 -10.628 1.00 0.00 C ATOM 957 C VAL A 79 -4.341 1.023 -10.552 1.00 0.00 C ATOM 958 O VAL A 79 -5.168 1.122 -9.640 1.00 0.00 O ATOM 959 CB VAL A 79 -3.313 2.973 -11.819 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.565 3.855 -11.595 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.049 3.839 -12.039 1.00 0.00 C ATOM 0 H VAL A 79 -1.401 1.348 -11.672 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.017 2.525 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.473 2.391 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.678 4.545 -12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.449 3.221 -11.526 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.451 4.421 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.219 4.528 -12.867 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.834 4.406 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.202 3.194 -12.272 1.00 0.00 H new ATOM 971 N THR A 80 -4.393 0.099 -11.526 1.00 0.00 N ATOM 972 CA THR A 80 -5.475 -0.889 -11.675 1.00 0.00 C ATOM 973 C THR A 80 -5.580 -1.811 -10.440 1.00 0.00 C ATOM 974 O THR A 80 -6.674 -2.002 -9.902 1.00 0.00 O ATOM 975 CB THR A 80 -5.239 -1.726 -12.978 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.156 -0.831 -14.098 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.344 -2.762 -13.256 1.00 0.00 C ATOM 0 H THR A 80 -3.673 0.016 -12.244 1.00 0.00 H new ATOM 0 HA THR A 80 -6.422 -0.356 -11.755 1.00 0.00 H new ATOM 0 HB THR A 80 -4.312 -2.280 -12.831 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.266 -0.421 -14.124 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.113 -3.303 -14.174 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.401 -3.465 -12.425 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.301 -2.252 -13.367 1.00 0.00 H new ATOM 985 N ALA A 81 -4.432 -2.326 -9.967 1.00 0.00 N ATOM 986 CA ALA A 81 -4.367 -3.264 -8.826 1.00 0.00 C ATOM 987 C ALA A 81 -4.741 -2.569 -7.504 1.00 0.00 C ATOM 988 O ALA A 81 -5.502 -3.116 -6.698 1.00 0.00 O ATOM 989 CB ALA A 81 -2.963 -3.878 -8.733 1.00 0.00 C ATOM 0 H ALA A 81 -3.519 -2.105 -10.364 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.094 -4.058 -8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.923 -4.568 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.740 -4.417 -9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.228 -3.086 -8.589 1.00 0.00 H new ATOM 995 N TYR A 82 -4.204 -1.346 -7.328 1.00 0.00 N ATOM 996 CA TYR A 82 -4.417 -0.509 -6.131 1.00 0.00 C ATOM 997 C TYR A 82 -5.908 -0.231 -5.933 1.00 0.00 C ATOM 998 O TYR A 82 -6.481 -0.591 -4.912 1.00 0.00 O ATOM 999 CB TYR A 82 -3.608 0.801 -6.294 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.642 1.817 -5.143 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.859 1.656 -3.994 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.374 2.996 -5.255 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.836 2.631 -3.008 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.319 3.976 -4.292 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.549 3.786 -3.174 1.00 0.00 C ATOM 1006 OH TYR A 82 -3.450 4.783 -2.235 1.00 0.00 O ATOM 0 H TYR A 82 -3.602 -0.905 -8.023 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.068 -1.031 -5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.567 0.531 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.964 1.303 -7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.266 0.762 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.002 3.145 -6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.256 2.478 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.880 4.891 -4.416 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.799 5.619 -2.608 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.541 0.322 -6.974 1.00 0.00 N ATOM 1017 CA ASN A 83 -7.957 0.739 -6.937 1.00 0.00 C ATOM 1018 C ASN A 83 -8.901 -0.472 -6.754 1.00 0.00 C ATOM 1019 O ASN A 83 -9.913 -0.369 -6.057 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.307 1.555 -8.213 1.00 0.00 C ATOM 1021 CG ASN A 83 -7.568 2.902 -8.274 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -7.242 3.504 -7.245 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.312 3.395 -9.475 1.00 0.00 N ATOM 0 H ASN A 83 -6.088 0.496 -7.871 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.104 1.383 -6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.057 0.967 -9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.382 1.733 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.835 4.292 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.592 2.878 -10.309 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.535 -1.632 -7.341 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.306 -2.896 -7.199 1.00 0.00 C ATOM 1032 C HIS A 84 -9.165 -3.514 -5.794 1.00 0.00 C ATOM 1033 O HIS A 84 -10.075 -4.232 -5.358 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.910 -3.928 -8.290 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.450 -3.595 -9.650 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -8.722 -3.720 -10.805 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.674 -3.171 -10.026 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -9.477 -3.394 -11.830 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.665 -3.056 -11.388 1.00 0.00 N ATOM 0 H HIS A 84 -7.703 -1.723 -7.924 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.355 -2.634 -7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.823 -3.989 -8.344 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.271 -4.913 -7.995 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.507 -2.961 -9.372 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.170 -3.403 -12.865 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.451 -2.757 -11.965 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.041 -3.243 -5.097 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.805 -3.747 -3.720 1.00 0.00 C ATOM 1050 C LEU A 85 -8.930 -3.299 -2.776 1.00 0.00 C ATOM 1051 O LEU A 85 -9.570 -4.107 -2.090 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.443 -3.214 -3.180 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.039 -3.692 -1.750 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.019 -5.229 -1.657 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.698 -3.073 -1.288 1.00 0.00 C ATOM 0 H LEU A 85 -7.277 -2.676 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.785 -4.836 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.658 -3.510 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.476 -2.124 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.805 -3.332 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.734 -5.529 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.010 -5.620 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.298 -5.627 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.456 -3.433 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.906 -3.362 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.785 -1.987 -1.271 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.148 -1.983 -2.794 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.134 -1.296 -1.955 1.00 0.00 C ATOM 1069 C PHE A 86 -11.565 -1.552 -2.464 1.00 0.00 C ATOM 1070 O PHE A 86 -12.505 -1.646 -1.670 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.812 0.217 -1.916 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.331 0.508 -1.633 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.760 0.268 -0.383 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.502 0.998 -2.634 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.415 0.518 -0.161 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.166 1.238 -2.402 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.623 0.997 -1.170 1.00 0.00 C ATOM 0 H PHE A 86 -8.633 -1.350 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.078 -1.692 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.089 0.667 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.423 0.693 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.372 -0.116 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.913 1.195 -3.613 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.989 0.334 0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.543 1.619 -3.198 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.574 1.184 -0.994 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.696 -1.708 -3.799 1.00 0.00 N ATOM 1088 CA GLU A 87 -12.995 -1.881 -4.487 1.00 0.00 C ATOM 1089 C GLU A 87 -13.729 -3.147 -4.014 1.00 0.00 C ATOM 1090 O GLU A 87 -14.933 -3.118 -3.742 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.770 -1.960 -6.021 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.055 -2.113 -6.858 1.00 0.00 C ATOM 1093 CD GLU A 87 -13.780 -2.297 -8.356 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.494 -1.294 -9.054 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -13.843 -3.447 -8.846 1.00 0.00 O ATOM 0 H GLU A 87 -10.898 -1.718 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.616 -1.019 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.249 -1.059 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.112 -2.803 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.621 -2.969 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.681 -1.232 -6.715 1.00 0.00 H new ATOM 1102 N THR A 88 -12.979 -4.253 -3.912 1.00 0.00 N ATOM 1103 CA THR A 88 -13.519 -5.573 -3.559 1.00 0.00 C ATOM 1104 C THR A 88 -13.073 -6.005 -2.145 1.00 0.00 C ATOM 1105 O THR A 88 -13.344 -7.142 -1.731 1.00 0.00 O ATOM 1106 CB THR A 88 -13.087 -6.619 -4.641 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.665 -6.576 -4.821 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.769 -6.354 -5.999 1.00 0.00 C ATOM 0 H THR A 88 -11.972 -4.256 -4.074 1.00 0.00 H new ATOM 0 HA THR A 88 -14.607 -5.515 -3.541 1.00 0.00 H new ATOM 0 HB THR A 88 -13.396 -7.602 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.401 -5.685 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.443 -7.102 -6.722 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.851 -6.412 -5.880 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.496 -5.361 -6.356 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.397 -5.074 -1.414 1.00 0.00 N ATOM 1117 CA LYS A 89 -12.002 -5.246 0.014 1.00 0.00 C ATOM 1118 C LYS A 89 -11.126 -6.514 0.214 1.00 0.00 C ATOM 1119 O LYS A 89 -11.190 -7.162 1.261 1.00 0.00 O ATOM 1120 CB LYS A 89 -13.273 -5.274 0.933 1.00 0.00 C ATOM 1121 CG LYS A 89 -14.187 -4.027 0.826 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.582 -2.752 1.459 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.428 -2.845 2.993 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.730 -2.990 3.687 1.00 0.00 N ATOM 0 H LYS A 89 -12.109 -4.176 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.393 -4.390 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.861 -6.159 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.951 -5.382 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.400 -3.833 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.140 -4.244 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.605 -2.562 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.215 -1.899 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.792 -3.695 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.923 -1.951 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.584 -2.929 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.372 -2.231 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.148 -3.912 3.451 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.276 -6.818 -0.796 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.481 -8.078 -0.866 1.00 0.00 C ATOM 1140 C ARG A 90 -8.424 -8.199 0.244 1.00 0.00 C ATOM 1141 O ARG A 90 -8.018 -9.315 0.581 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.789 -8.203 -2.255 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.728 -8.628 -3.402 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.980 -8.801 -4.738 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.797 -9.489 -5.756 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.508 -10.685 -6.302 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -8.448 -11.376 -5.896 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.282 -11.192 -7.250 1.00 0.00 N ATOM 0 H ARG A 90 -10.119 -6.197 -1.590 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.191 -8.892 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.337 -7.244 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.978 -8.928 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.218 -9.565 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.513 -7.881 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.684 -7.822 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.064 -9.367 -4.568 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.647 -9.022 -6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.845 -11.001 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.238 -12.281 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.102 -10.676 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.058 -12.099 -7.660 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.997 -7.057 0.787 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.883 -6.971 1.754 1.00 0.00 C ATOM 1164 C PHE A 91 -7.079 -7.826 3.033 1.00 0.00 C ATOM 1165 O PHE A 91 -8.196 -8.225 3.376 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.580 -5.485 2.101 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.798 -4.589 2.275 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.568 -4.621 3.427 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.162 -3.697 1.272 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.657 -3.789 3.569 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.245 -2.866 1.417 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.992 -2.912 2.564 1.00 0.00 C ATOM 0 H PHE A 91 -8.415 -6.152 0.570 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.017 -7.408 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.996 -5.457 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.953 -5.067 1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.312 -5.306 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.582 -3.657 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.249 -3.826 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.508 -2.177 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.845 -2.259 2.679 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.941 -8.061 3.710 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.782 -8.987 4.854 1.00 0.00 C ATOM 1184 C LYS A 92 -6.827 -8.759 5.992 1.00 0.00 C ATOM 1185 O LYS A 92 -7.374 -9.758 6.509 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.316 -8.860 5.380 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.918 -7.439 5.873 1.00 0.00 C ATOM 1188 CD LYS A 92 -2.394 -7.180 5.877 1.00 0.00 C ATOM 1189 CE LYS A 92 -1.602 -8.142 6.767 1.00 0.00 C ATOM 1190 NZ LYS A 92 -0.148 -7.851 6.724 1.00 0.00 N ATOM 1191 OXT LYS A 92 -7.127 -7.591 6.331 1.00 0.00 O ATOM 0 H LYS A 92 -5.068 -7.593 3.467 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.974 -10.002 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.177 -9.565 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.633 -9.157 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.401 -6.697 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.304 -7.294 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.020 -7.255 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.210 -6.158 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.959 -8.066 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.778 -9.168 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.383 -8.744 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.065 -7.271 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.128 -7.334 7.583 1.00 0.00 H new TER 1205 LYS A 92