USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 786 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 125 HIS : no HD1:sc= -1.45 K(o=-2.3,f=-4.8!) USER MOD Set 1.2: A 130 HIS :FLIP no HD1:sc= -0.81 F(o=-3.9,f=-2.3) USER MOD Set 2.1: A 82 MET CE :methyl 180:sc= -0.8 (180deg=-0.682) USER MOD Set 2.2: A 100 MET CE :methyl -168:sc= -11.5! (180deg=-8.48!) USER MOD Set 2.3: A 105 ASN : amide:sc= -8.31! C(o=-21!,f=-28!) USER MOD Set 3.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 77 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.43) USER MOD Set 4.1: A 54 HIS : no HD1:sc= -1.95 K(o=-1.6,f=-5.1!) USER MOD Set 4.2: A 58 SER OG : rot -94:sc= 0.846 USER MOD Set 4.3: A 69 TYR OH : rot 70:sc= -0.475 USER MOD Set 5.1: A 53 GLN : amide:sc= -2.6 K(o=-3.9,f=-5.8) USER MOD Set 5.2: A 127 MET CE :methyl -160:sc= -1.32 (180deg=-1.64) USER MOD Single : A 30 ASN :FLIP amide:sc= -3.05 F(o=-5.7,f=-3.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.092) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.888 K(o=-0.89,f=-1.5) USER MOD Single : A 42 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.9) USER MOD Single : A 46 SER OG : rot 93:sc= 0.875 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.42! C(o=-4.4!,f=-10!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=-0.42) USER MOD Single : A 76 THR OG1 : rot 75:sc= -2.64! USER MOD Single : A 79 THR OG1 : rot -95:sc= -2.25 USER MOD Single : A 85 MET CE :methyl 157:sc= -6.53! (180deg=-7.59!) USER MOD Single : A 86 GLN : amide:sc= -2.11 K(o=-2.1,f=-5!) USER MOD Single : A 87 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-6.3!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -148:sc= -0.211 (180deg=-1.05) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.241 F(o=-1,f=-0.24) USER MOD Single : A 103 HIS : no HD1:sc= -3.02 K(o=-3,f=-4.6!) USER MOD Single : A 109 MET CE :methyl -117:sc= -7.46 (180deg=-14.7!) USER MOD Single : A 111 SER OG : rot 76:sc= 1.26 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 157:sc= -2.34 (180deg=-3.58!) USER MOD Single : A 124 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -11.108 20.025 -9.646 1.00 0.00 N ATOM 2 CA ASP A 29 -12.030 18.861 -9.577 1.00 0.00 C ATOM 3 C ASP A 29 -11.265 17.566 -9.323 1.00 0.00 C ATOM 4 O ASP A 29 -10.366 17.205 -10.083 1.00 0.00 O ATOM 5 CB ASP A 29 -12.797 18.769 -10.897 1.00 0.00 C ATOM 6 CG ASP A 29 -13.585 20.029 -11.197 1.00 0.00 C ATOM 7 OD1 ASP A 29 -13.038 21.133 -10.994 1.00 0.00 O ATOM 8 OD2 ASP A 29 -14.748 19.911 -11.637 1.00 0.00 O ATOM 0 HA ASP A 29 -12.723 19.002 -8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.095 18.581 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.478 17.918 -10.860 1.00 0.00 H new ATOM 13 N ASN A 30 -11.625 16.871 -8.249 1.00 0.00 N ATOM 14 CA ASN A 30 -10.971 15.617 -7.896 1.00 0.00 C ATOM 15 C ASN A 30 -11.905 14.432 -8.111 1.00 0.00 C ATOM 16 O ASN A 30 -13.078 14.603 -8.444 1.00 0.00 O ATOM 17 CB ASN A 30 -10.505 15.653 -6.440 1.00 0.00 C ATOM 18 CG ASN A 30 -9.181 16.371 -6.274 1.00 0.00 C ATOM 19 OD1 ASN A 30 -8.582 16.239 -5.096 1.00 0.00 O flip ATOM 20 ND2 ASN A 30 -8.702 17.038 -7.191 1.00 0.00 N flip ATOM 0 H ASN A 30 -12.366 17.155 -7.608 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.105 15.495 -8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.262 16.148 -5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.412 14.633 -6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.197 17.112 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.810 17.516 -7.062 1.00 0.00 H new ATOM 27 N VAL A 31 -11.375 13.228 -7.918 1.00 0.00 N ATOM 28 CA VAL A 31 -12.157 12.009 -8.089 1.00 0.00 C ATOM 29 C VAL A 31 -13.388 12.010 -7.187 1.00 0.00 C ATOM 30 O VAL A 31 -13.609 12.951 -6.424 1.00 0.00 O ATOM 31 CB VAL A 31 -11.316 10.752 -7.791 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.435 10.404 -8.980 1.00 0.00 C ATOM 33 CG2 VAL A 31 -10.476 10.952 -6.537 1.00 0.00 C ATOM 0 H VAL A 31 -10.406 13.071 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.475 11.985 -9.131 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.996 9.919 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.849 9.514 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.060 10.212 -9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.763 11.236 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.890 10.053 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.805 11.799 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.131 11.147 -5.688 1.00 0.00 H new ATOM 43 N THR A 32 -14.187 10.952 -7.281 1.00 0.00 N ATOM 44 CA THR A 32 -15.399 10.833 -6.475 1.00 0.00 C ATOM 45 C THR A 32 -15.080 10.286 -5.088 1.00 0.00 C ATOM 46 O THR A 32 -14.016 9.708 -4.868 1.00 0.00 O ATOM 47 CB THR A 32 -16.419 9.921 -7.167 1.00 0.00 C ATOM 48 OG1 THR A 32 -16.200 8.565 -6.821 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.388 10.015 -8.677 1.00 0.00 C ATOM 0 H THR A 32 -14.018 10.164 -7.907 1.00 0.00 H new ATOM 0 HA THR A 32 -15.826 11.830 -6.368 1.00 0.00 H new ATOM 0 HB THR A 32 -17.391 10.269 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.863 8.001 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.135 9.343 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.606 11.038 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.400 9.731 -9.039 1.00 0.00 H new ATOM 57 N SER A 33 -16.013 10.463 -4.158 1.00 0.00 N ATOM 58 CA SER A 33 -15.832 9.977 -2.797 1.00 0.00 C ATOM 59 C SER A 33 -15.665 8.462 -2.791 1.00 0.00 C ATOM 60 O SER A 33 -14.816 7.922 -2.081 1.00 0.00 O ATOM 61 CB SER A 33 -17.022 10.378 -1.925 1.00 0.00 C ATOM 62 OG SER A 33 -17.491 11.671 -2.265 1.00 0.00 O ATOM 0 H SER A 33 -16.900 10.939 -4.323 1.00 0.00 H new ATOM 0 HA SER A 33 -14.929 10.430 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.826 9.653 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.730 10.358 -0.875 1.00 0.00 H new ATOM 0 HG SER A 33 -18.253 11.903 -1.694 1.00 0.00 H new ATOM 68 N SER A 34 -16.474 7.782 -3.598 1.00 0.00 N ATOM 69 CA SER A 34 -16.407 6.330 -3.695 1.00 0.00 C ATOM 70 C SER A 34 -15.084 5.897 -4.320 1.00 0.00 C ATOM 71 O SER A 34 -14.624 4.776 -4.110 1.00 0.00 O ATOM 72 CB SER A 34 -17.579 5.794 -4.520 1.00 0.00 C ATOM 73 OG SER A 34 -17.303 4.497 -5.020 1.00 0.00 O ATOM 0 H SER A 34 -17.182 8.213 -4.193 1.00 0.00 H new ATOM 0 HA SER A 34 -16.470 5.916 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.478 5.765 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.783 6.471 -5.350 1.00 0.00 H new ATOM 0 HG SER A 34 -18.069 4.178 -5.542 1.00 0.00 H new ATOM 79 N GLN A 35 -14.476 6.798 -5.087 1.00 0.00 N ATOM 80 CA GLN A 35 -13.205 6.514 -5.739 1.00 0.00 C ATOM 81 C GLN A 35 -12.059 6.603 -4.741 1.00 0.00 C ATOM 82 O GLN A 35 -11.139 5.785 -4.763 1.00 0.00 O ATOM 83 CB GLN A 35 -12.975 7.489 -6.890 1.00 0.00 C ATOM 84 CG GLN A 35 -11.848 7.079 -7.822 1.00 0.00 C ATOM 85 CD GLN A 35 -12.355 6.507 -9.130 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.929 5.434 -9.559 1.00 0.00 O ATOM 87 NE2 GLN A 35 -13.270 7.223 -9.773 1.00 0.00 N ATOM 0 H GLN A 35 -14.845 7.731 -5.271 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.240 5.499 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.896 7.581 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.755 8.475 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.218 7.944 -8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.221 6.339 -7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.594 8.107 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.649 6.889 -10.659 1.00 0.00 H new ATOM 96 N LEU A 36 -12.126 7.595 -3.857 1.00 0.00 N ATOM 97 CA LEU A 36 -11.096 7.779 -2.841 1.00 0.00 C ATOM 98 C LEU A 36 -10.889 6.481 -2.071 1.00 0.00 C ATOM 99 O LEU A 36 -9.758 6.043 -1.854 1.00 0.00 O ATOM 100 CB LEU A 36 -11.490 8.902 -1.878 1.00 0.00 C ATOM 101 CG LEU A 36 -11.045 10.305 -2.294 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.530 10.374 -2.410 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.703 10.707 -3.606 1.00 0.00 C ATOM 0 H LEU A 36 -12.880 8.281 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.164 8.055 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.574 8.900 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.070 8.681 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.361 11.008 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.233 11.380 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.080 10.132 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.190 9.659 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.375 11.708 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.420 10.001 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.786 10.701 -3.487 1.00 0.00 H new ATOM 115 N LEU A 37 -11.996 5.862 -1.675 1.00 0.00 N ATOM 116 CA LEU A 37 -11.947 4.605 -0.945 1.00 0.00 C ATOM 117 C LEU A 37 -11.751 3.434 -1.905 1.00 0.00 C ATOM 118 O LEU A 37 -11.221 2.391 -1.523 1.00 0.00 O ATOM 119 CB LEU A 37 -13.228 4.410 -0.129 1.00 0.00 C ATOM 120 CG LEU A 37 -14.487 4.126 -0.951 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.775 2.633 -0.991 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.677 4.886 -0.386 1.00 0.00 C ATOM 0 H LEU A 37 -12.938 6.212 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.099 4.639 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.074 3.585 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.398 5.305 0.469 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.315 4.469 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.674 2.452 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.932 2.112 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.926 2.264 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.563 4.671 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.851 4.576 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.471 5.956 -0.413 1.00 0.00 H new ATOM 134 N SER A 38 -12.174 3.614 -3.157 1.00 0.00 N ATOM 135 CA SER A 38 -12.033 2.567 -4.164 1.00 0.00 C ATOM 136 C SER A 38 -10.567 2.195 -4.347 1.00 0.00 C ATOM 137 O SER A 38 -10.225 1.022 -4.502 1.00 0.00 O ATOM 138 CB SER A 38 -12.625 3.023 -5.498 1.00 0.00 C ATOM 139 OG SER A 38 -12.484 2.020 -6.489 1.00 0.00 O ATOM 0 H SER A 38 -12.614 4.470 -3.494 1.00 0.00 H new ATOM 0 HA SER A 38 -12.578 1.688 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.680 3.264 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.128 3.936 -5.827 1.00 0.00 H new ATOM 0 HG SER A 38 -12.872 2.336 -7.332 1.00 0.00 H new ATOM 145 N VAL A 39 -9.704 3.205 -4.324 1.00 0.00 N ATOM 146 CA VAL A 39 -8.273 2.989 -4.483 1.00 0.00 C ATOM 147 C VAL A 39 -7.653 2.477 -3.188 1.00 0.00 C ATOM 148 O VAL A 39 -6.721 1.674 -3.212 1.00 0.00 O ATOM 149 CB VAL A 39 -7.552 4.280 -4.915 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.084 4.003 -5.203 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.234 4.892 -6.129 1.00 0.00 C ATOM 0 H VAL A 39 -9.972 4.181 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.148 2.240 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.608 4.996 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.592 4.927 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.604 3.615 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.003 3.269 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.711 5.803 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.212 4.182 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.269 5.131 -5.883 1.00 0.00 H new ATOM 161 N ARG A 40 -8.176 2.939 -2.056 1.00 0.00 N ATOM 162 CA ARG A 40 -7.665 2.510 -0.760 1.00 0.00 C ATOM 163 C ARG A 40 -7.990 1.037 -0.520 1.00 0.00 C ATOM 164 O ARG A 40 -7.265 0.339 0.188 1.00 0.00 O ATOM 165 CB ARG A 40 -8.241 3.385 0.365 1.00 0.00 C ATOM 166 CG ARG A 40 -8.280 2.707 1.728 1.00 0.00 C ATOM 167 CD ARG A 40 -9.602 1.991 1.957 1.00 0.00 C ATOM 168 NE ARG A 40 -9.520 1.025 3.050 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.581 0.535 3.688 1.00 0.00 C ATOM 170 NH1 ARG A 40 -11.805 0.915 3.344 1.00 0.00 N ATOM 171 NH2 ARG A 40 -10.417 -0.339 4.671 1.00 0.00 N ATOM 0 H ARG A 40 -8.947 3.605 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.581 2.627 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.647 4.295 0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.253 3.687 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.460 1.993 1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.128 3.451 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.378 2.724 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.900 1.479 1.042 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.596 0.707 3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.937 1.586 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.614 0.536 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.478 -0.636 4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.229 -0.715 5.160 1.00 0.00 H new ATOM 185 N HIS A 41 -9.082 0.572 -1.119 1.00 0.00 N ATOM 186 CA HIS A 41 -9.497 -0.817 -0.974 1.00 0.00 C ATOM 187 C HIS A 41 -8.573 -1.740 -1.762 1.00 0.00 C ATOM 188 O HIS A 41 -8.253 -2.842 -1.316 1.00 0.00 O ATOM 189 CB HIS A 41 -10.941 -0.993 -1.450 1.00 0.00 C ATOM 190 CG HIS A 41 -11.953 -0.878 -0.352 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.590 -1.969 0.201 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.440 0.207 0.296 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.425 -1.560 1.140 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.352 -0.244 1.217 1.00 0.00 N ATOM 0 H HIS A 41 -9.694 1.137 -1.708 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.437 -1.083 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.157 -0.244 -2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.042 -1.969 -1.925 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.162 1.236 0.121 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.059 -2.194 1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.887 0.343 1.857 1.00 0.00 H new ATOM 203 N GLN A 42 -8.147 -1.283 -2.937 1.00 0.00 N ATOM 204 CA GLN A 42 -7.260 -2.068 -3.788 1.00 0.00 C ATOM 205 C GLN A 42 -5.813 -1.975 -3.306 1.00 0.00 C ATOM 206 O GLN A 42 -5.031 -2.911 -3.474 1.00 0.00 O ATOM 207 CB GLN A 42 -7.372 -1.602 -5.246 1.00 0.00 C ATOM 208 CG GLN A 42 -6.513 -0.391 -5.582 1.00 0.00 C ATOM 209 CD GLN A 42 -5.228 -0.766 -6.293 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.208 -1.670 -7.129 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.145 -0.072 -5.963 1.00 0.00 N ATOM 0 H GLN A 42 -8.402 -0.373 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.567 -3.112 -3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.091 -2.426 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.414 -1.365 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.085 0.292 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.273 0.145 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.207 0.669 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.251 -0.280 -6.408 1.00 0.00 H new ATOM 220 N LEU A 43 -5.463 -0.839 -2.709 1.00 0.00 N ATOM 221 CA LEU A 43 -4.111 -0.624 -2.206 1.00 0.00 C ATOM 222 C LEU A 43 -3.903 -1.352 -0.881 1.00 0.00 C ATOM 223 O LEU A 43 -3.133 -2.310 -0.803 1.00 0.00 O ATOM 224 CB LEU A 43 -3.845 0.879 -2.032 1.00 0.00 C ATOM 225 CG LEU A 43 -2.379 1.335 -2.142 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.786 1.561 -0.762 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.536 0.336 -2.924 1.00 0.00 C ATOM 0 H LEU A 43 -6.097 -0.054 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.406 -1.028 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.427 1.417 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.224 1.182 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.369 2.277 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.749 1.883 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.357 2.330 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.825 0.632 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.508 0.693 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.558 -0.631 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.939 0.230 -3.931 1.00 0.00 H new ATOM 239 N ALA A 44 -4.595 -0.891 0.160 1.00 0.00 N ATOM 240 CA ALA A 44 -4.491 -1.496 1.486 1.00 0.00 C ATOM 241 C ALA A 44 -4.552 -3.021 1.420 1.00 0.00 C ATOM 242 O ALA A 44 -3.729 -3.710 2.022 1.00 0.00 O ATOM 243 CB ALA A 44 -5.595 -0.968 2.390 1.00 0.00 C ATOM 0 H ALA A 44 -5.235 -0.098 0.110 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.521 -1.221 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.508 -1.425 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.503 0.114 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.566 -1.214 1.960 1.00 0.00 H new ATOM 249 N GLU A 45 -5.533 -3.541 0.688 1.00 0.00 N ATOM 250 CA GLU A 45 -5.702 -4.985 0.548 1.00 0.00 C ATOM 251 C GLU A 45 -4.414 -5.645 0.065 1.00 0.00 C ATOM 252 O GLU A 45 -3.877 -6.537 0.723 1.00 0.00 O ATOM 253 CB GLU A 45 -6.841 -5.294 -0.424 1.00 0.00 C ATOM 254 CG GLU A 45 -8.214 -5.289 0.227 1.00 0.00 C ATOM 255 CD GLU A 45 -9.267 -5.972 -0.625 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.374 -7.214 -0.553 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.983 -5.264 -1.364 1.00 0.00 O ATOM 0 H GLU A 45 -6.223 -2.985 0.183 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.948 -5.391 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.828 -4.561 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.666 -6.270 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.155 -5.788 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.518 -4.260 0.417 1.00 0.00 H new ATOM 264 N SER A 46 -3.924 -5.203 -1.088 1.00 0.00 N ATOM 265 CA SER A 46 -2.699 -5.752 -1.658 1.00 0.00 C ATOM 266 C SER A 46 -1.506 -5.495 -0.742 1.00 0.00 C ATOM 267 O SER A 46 -0.534 -6.251 -0.746 1.00 0.00 O ATOM 268 CB SER A 46 -2.437 -5.144 -3.037 1.00 0.00 C ATOM 269 OG SER A 46 -3.553 -5.318 -3.892 1.00 0.00 O ATOM 0 H SER A 46 -4.356 -4.467 -1.646 1.00 0.00 H new ATOM 0 HA SER A 46 -2.828 -6.829 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.217 -4.082 -2.933 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.558 -5.610 -3.482 1.00 0.00 H new ATOM 0 HG SER A 46 -4.132 -4.529 -3.838 1.00 0.00 H new ATOM 275 N ALA A 47 -1.585 -4.424 0.040 1.00 0.00 N ATOM 276 CA ALA A 47 -0.510 -4.067 0.959 1.00 0.00 C ATOM 277 C ALA A 47 -0.438 -5.043 2.130 1.00 0.00 C ATOM 278 O ALA A 47 -0.661 -4.667 3.280 1.00 0.00 O ATOM 279 CB ALA A 47 -0.700 -2.644 1.463 1.00 0.00 C ATOM 0 H ALA A 47 -2.382 -3.788 0.056 1.00 0.00 H new ATOM 0 HA ALA A 47 0.434 -4.126 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.109 -2.390 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.691 -1.955 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.654 -2.567 1.984 1.00 0.00 H new ATOM 285 N GLY A 48 -0.120 -6.299 1.828 1.00 0.00 N ATOM 286 CA GLY A 48 -0.019 -7.309 2.866 1.00 0.00 C ATOM 287 C GLY A 48 0.346 -8.674 2.315 1.00 0.00 C ATOM 288 O GLY A 48 -0.464 -9.317 1.648 1.00 0.00 O ATOM 0 H GLY A 48 0.069 -6.635 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.731 -7.003 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.969 -7.377 3.396 1.00 0.00 H new ATOM 292 N LEU A 49 1.567 -9.118 2.597 1.00 0.00 N ATOM 293 CA LEU A 49 2.034 -10.418 2.126 1.00 0.00 C ATOM 294 C LEU A 49 1.149 -11.538 2.674 1.00 0.00 C ATOM 295 O LEU A 49 0.631 -11.439 3.786 1.00 0.00 O ATOM 296 CB LEU A 49 3.490 -10.650 2.547 1.00 0.00 C ATOM 297 CG LEU A 49 4.551 -9.998 1.651 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.272 -10.283 0.183 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.617 -8.498 1.900 1.00 0.00 C ATOM 0 H LEU A 49 2.250 -8.598 3.148 1.00 0.00 H new ATOM 0 HA LEU A 49 1.976 -10.426 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.619 -10.277 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.674 -11.724 2.576 1.00 0.00 H new ATOM 0 HG LEU A 49 5.518 -10.432 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.038 -9.810 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.284 -11.360 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.294 -9.884 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.376 -8.055 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.648 -8.050 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.875 -8.313 2.943 1.00 0.00 H new ATOM 311 N PRO A 50 0.960 -12.620 1.897 1.00 0.00 N ATOM 312 CA PRO A 50 0.128 -13.754 2.314 1.00 0.00 C ATOM 313 C PRO A 50 0.654 -14.427 3.583 1.00 0.00 C ATOM 314 O PRO A 50 0.181 -14.141 4.683 1.00 0.00 O ATOM 315 CB PRO A 50 0.189 -14.715 1.119 1.00 0.00 C ATOM 316 CG PRO A 50 1.395 -14.301 0.346 1.00 0.00 C ATOM 317 CD PRO A 50 1.535 -12.821 0.557 1.00 0.00 C ATOM 0 HA PRO A 50 -0.886 -13.441 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.270 -15.750 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.712 -14.644 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.282 -14.830 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.279 -14.535 -0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.577 -12.504 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.997 -12.253 -0.202 1.00 0.00 H new ATOM 325 N ARG A 51 1.631 -15.319 3.430 1.00 0.00 N ATOM 326 CA ARG A 51 2.206 -16.020 4.574 1.00 0.00 C ATOM 327 C ARG A 51 3.681 -16.335 4.341 1.00 0.00 C ATOM 328 O ARG A 51 4.556 -15.781 5.007 1.00 0.00 O ATOM 329 CB ARG A 51 1.433 -17.311 4.849 1.00 0.00 C ATOM 330 CG ARG A 51 1.479 -17.747 6.305 1.00 0.00 C ATOM 331 CD ARG A 51 1.324 -19.254 6.441 1.00 0.00 C ATOM 332 NE ARG A 51 0.042 -19.619 7.038 1.00 0.00 N ATOM 333 CZ ARG A 51 -0.495 -20.835 6.957 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.136 -21.804 6.304 1.00 0.00 N ATOM 335 NH2 ARG A 51 -1.664 -21.082 7.530 1.00 0.00 N ATOM 0 H ARG A 51 2.039 -15.572 2.530 1.00 0.00 H new ATOM 0 HA ARG A 51 2.129 -15.366 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.393 -17.173 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.839 -18.108 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.424 -17.436 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.686 -17.247 6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.412 -19.718 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.135 -19.648 7.053 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.472 -18.900 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.036 -21.619 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.280 -22.734 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.152 -20.341 8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.076 -22.013 7.468 1.00 0.00 H new ATOM 349 N ASP A 52 3.949 -17.229 3.395 1.00 0.00 N ATOM 350 CA ASP A 52 5.318 -17.620 3.077 1.00 0.00 C ATOM 351 C ASP A 52 6.146 -16.412 2.649 1.00 0.00 C ATOM 352 O ASP A 52 7.337 -16.326 2.947 1.00 0.00 O ATOM 353 CB ASP A 52 5.326 -18.675 1.970 1.00 0.00 C ATOM 354 CG ASP A 52 4.484 -19.886 2.319 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.368 -20.202 3.521 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.941 -20.519 1.389 1.00 0.00 O ATOM 0 H ASP A 52 3.236 -17.697 2.835 1.00 0.00 H new ATOM 0 HA ASP A 52 5.765 -18.043 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.954 -18.231 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.352 -18.991 1.781 1.00 0.00 H new ATOM 361 N GLN A 53 5.507 -15.482 1.947 1.00 0.00 N ATOM 362 CA GLN A 53 6.184 -14.279 1.476 1.00 0.00 C ATOM 363 C GLN A 53 6.785 -13.498 2.641 1.00 0.00 C ATOM 364 O GLN A 53 7.875 -12.937 2.528 1.00 0.00 O ATOM 365 CB GLN A 53 5.211 -13.390 0.701 1.00 0.00 C ATOM 366 CG GLN A 53 5.149 -13.706 -0.785 1.00 0.00 C ATOM 367 CD GLN A 53 4.394 -14.987 -1.077 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.796 -16.070 -0.650 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.292 -14.871 -1.809 1.00 0.00 N ATOM 0 H GLN A 53 4.521 -15.538 1.692 1.00 0.00 H new ATOM 0 HA GLN A 53 6.993 -14.586 0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.214 -13.498 1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.502 -12.348 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.670 -12.879 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.162 -13.788 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.995 -13.954 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.742 -15.699 -2.038 1.00 0.00 H new ATOM 378 N HIS A 54 6.066 -13.464 3.759 1.00 0.00 N ATOM 379 CA HIS A 54 6.529 -12.750 4.943 1.00 0.00 C ATOM 380 C HIS A 54 7.546 -13.579 5.719 1.00 0.00 C ATOM 381 O HIS A 54 8.476 -13.038 6.318 1.00 0.00 O ATOM 382 CB HIS A 54 5.348 -12.396 5.848 1.00 0.00 C ATOM 383 CG HIS A 54 5.739 -11.601 7.055 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.574 -12.089 8.039 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.411 -10.343 7.434 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.742 -11.166 8.969 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.047 -10.097 8.626 1.00 0.00 N ATOM 0 H HIS A 54 5.161 -13.922 3.869 1.00 0.00 H new ATOM 0 HA HIS A 54 7.013 -11.831 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.615 -11.831 5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.859 -13.315 6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.768 -9.660 6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.345 -11.268 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.992 -9.230 9.160 1.00 0.00 H new ATOM 396 N GLU A 55 7.362 -14.895 5.708 1.00 0.00 N ATOM 397 CA GLU A 55 8.262 -15.800 6.414 1.00 0.00 C ATOM 398 C GLU A 55 9.691 -15.690 5.886 1.00 0.00 C ATOM 399 O GLU A 55 10.639 -16.104 6.552 1.00 0.00 O ATOM 400 CB GLU A 55 7.770 -17.243 6.284 1.00 0.00 C ATOM 401 CG GLU A 55 6.746 -17.633 7.338 1.00 0.00 C ATOM 402 CD GLU A 55 7.172 -18.842 8.148 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.383 -18.973 8.427 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.296 -19.658 8.502 1.00 0.00 O ATOM 0 H GLU A 55 6.597 -15.359 5.218 1.00 0.00 H new ATOM 0 HA GLU A 55 8.265 -15.512 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.332 -17.381 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.624 -17.917 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.583 -16.790 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.793 -17.843 6.853 1.00 0.00 H new ATOM 411 N PHE A 56 9.842 -15.135 4.687 1.00 0.00 N ATOM 412 CA PHE A 56 11.159 -14.982 4.080 1.00 0.00 C ATOM 413 C PHE A 56 11.695 -13.565 4.278 1.00 0.00 C ATOM 414 O PHE A 56 12.836 -13.378 4.692 1.00 0.00 O ATOM 415 CB PHE A 56 11.091 -15.329 2.584 1.00 0.00 C ATOM 416 CG PHE A 56 12.050 -14.551 1.720 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.420 -14.686 1.882 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.577 -13.684 0.749 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.299 -13.970 1.092 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.451 -12.965 -0.045 1.00 0.00 C ATOM 421 CZ PHE A 56 13.814 -13.109 0.127 1.00 0.00 C ATOM 0 H PHE A 56 9.071 -14.785 4.118 1.00 0.00 H new ATOM 0 HA PHE A 56 11.846 -15.670 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.292 -16.393 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.076 -15.153 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.805 -15.359 2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.512 -13.568 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.364 -14.084 1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.069 -12.292 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.499 -12.549 -0.492 1.00 0.00 H new ATOM 431 N VAL A 57 10.870 -12.572 3.966 1.00 0.00 N ATOM 432 CA VAL A 57 11.271 -11.174 4.093 1.00 0.00 C ATOM 433 C VAL A 57 11.513 -10.759 5.546 1.00 0.00 C ATOM 434 O VAL A 57 12.018 -9.667 5.803 1.00 0.00 O ATOM 435 CB VAL A 57 10.217 -10.233 3.475 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.902 -10.323 4.236 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.729 -8.801 3.450 1.00 0.00 C ATOM 0 H VAL A 57 9.919 -12.708 3.623 1.00 0.00 H new ATOM 0 HA VAL A 57 12.212 -11.084 3.550 1.00 0.00 H new ATOM 0 HB VAL A 57 10.036 -10.549 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.173 -9.651 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.527 -11.346 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.063 -10.037 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.972 -8.152 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.942 -8.473 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.640 -8.751 2.854 1.00 0.00 H new ATOM 447 N SER A 58 11.143 -11.615 6.495 1.00 0.00 N ATOM 448 CA SER A 58 11.324 -11.293 7.908 1.00 0.00 C ATOM 449 C SER A 58 12.147 -12.354 8.636 1.00 0.00 C ATOM 450 O SER A 58 12.946 -12.032 9.516 1.00 0.00 O ATOM 451 CB SER A 58 9.963 -11.138 8.589 1.00 0.00 C ATOM 452 OG SER A 58 9.260 -12.368 8.610 1.00 0.00 O ATOM 0 H SER A 58 10.721 -12.526 6.315 1.00 0.00 H new ATOM 0 HA SER A 58 11.873 -10.353 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.102 -10.778 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.373 -10.387 8.063 1.00 0.00 H new ATOM 0 HG SER A 58 8.660 -12.415 7.837 1.00 0.00 H new ATOM 458 N SER A 59 11.938 -13.617 8.284 1.00 0.00 N ATOM 459 CA SER A 59 12.653 -14.715 8.928 1.00 0.00 C ATOM 460 C SER A 59 13.932 -15.093 8.180 1.00 0.00 C ATOM 461 O SER A 59 14.735 -15.880 8.681 1.00 0.00 O ATOM 462 CB SER A 59 11.742 -15.939 9.047 1.00 0.00 C ATOM 463 OG SER A 59 11.907 -16.577 10.301 1.00 0.00 O ATOM 0 H SER A 59 11.282 -13.907 7.559 1.00 0.00 H new ATOM 0 HA SER A 59 12.943 -14.371 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.702 -15.636 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.966 -16.642 8.245 1.00 0.00 H new ATOM 0 HG SER A 59 11.313 -17.355 10.353 1.00 0.00 H new ATOM 469 N GLN A 60 14.120 -14.547 6.981 1.00 0.00 N ATOM 470 CA GLN A 60 15.307 -14.860 6.190 1.00 0.00 C ATOM 471 C GLN A 60 15.996 -13.596 5.679 1.00 0.00 C ATOM 472 O GLN A 60 17.139 -13.314 6.040 1.00 0.00 O ATOM 473 CB GLN A 60 14.929 -15.757 5.011 1.00 0.00 C ATOM 474 CG GLN A 60 14.690 -17.206 5.402 1.00 0.00 C ATOM 475 CD GLN A 60 14.552 -18.120 4.200 1.00 0.00 C ATOM 476 OE1 GLN A 60 14.161 -17.685 3.117 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.874 -19.395 4.386 1.00 0.00 N ATOM 0 H GLN A 60 13.474 -13.893 6.540 1.00 0.00 H new ATOM 0 HA GLN A 60 16.008 -15.384 6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.029 -15.363 4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.723 -15.717 4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.516 -17.552 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.786 -17.270 6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.194 -19.712 5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.802 -20.057 3.614 1.00 0.00 H new ATOM 486 N ALA A 61 15.296 -12.850 4.829 1.00 0.00 N ATOM 487 CA ALA A 61 15.831 -11.620 4.246 1.00 0.00 C ATOM 488 C ALA A 61 16.610 -10.791 5.269 1.00 0.00 C ATOM 489 O ALA A 61 16.315 -10.822 6.463 1.00 0.00 O ATOM 490 CB ALA A 61 14.703 -10.794 3.647 1.00 0.00 C ATOM 0 H ALA A 61 14.349 -13.077 4.526 1.00 0.00 H new ATOM 0 HA ALA A 61 16.530 -11.905 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.111 -9.880 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.203 -11.371 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.986 -10.538 4.427 1.00 0.00 H new ATOM 496 N PRO A 62 17.621 -10.035 4.804 1.00 0.00 N ATOM 497 CA PRO A 62 18.449 -9.194 5.675 1.00 0.00 C ATOM 498 C PRO A 62 17.710 -7.951 6.161 1.00 0.00 C ATOM 499 O PRO A 62 16.714 -7.538 5.569 1.00 0.00 O ATOM 500 CB PRO A 62 19.618 -8.798 4.773 1.00 0.00 C ATOM 501 CG PRO A 62 19.055 -8.834 3.395 1.00 0.00 C ATOM 502 CD PRO A 62 18.038 -9.943 3.391 1.00 0.00 C ATOM 0 HA PRO A 62 18.747 -9.719 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.993 -7.806 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.453 -9.490 4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.594 -7.881 3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.837 -9.019 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.196 -9.713 2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.468 -10.880 3.038 1.00 0.00 H new ATOM 510 N GLN A 63 18.208 -7.359 7.244 1.00 0.00 N ATOM 511 CA GLN A 63 17.598 -6.161 7.815 1.00 0.00 C ATOM 512 C GLN A 63 17.336 -5.108 6.740 1.00 0.00 C ATOM 513 O GLN A 63 16.413 -4.303 6.859 1.00 0.00 O ATOM 514 CB GLN A 63 18.500 -5.578 8.905 1.00 0.00 C ATOM 515 CG GLN A 63 17.870 -4.421 9.663 1.00 0.00 C ATOM 516 CD GLN A 63 17.725 -4.701 11.146 1.00 0.00 C ATOM 517 OE1 GLN A 63 16.645 -5.053 11.621 1.00 0.00 O ATOM 518 NE2 GLN A 63 18.816 -4.544 11.887 1.00 0.00 N ATOM 0 H GLN A 63 19.033 -7.690 7.744 1.00 0.00 H new ATOM 0 HA GLN A 63 16.642 -6.447 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.758 -6.367 9.612 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.432 -5.240 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.478 -3.527 9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.888 -4.207 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 63 19.690 -4.251 11.451 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.779 -4.717 12.892 1.00 0.00 H new ATOM 527 N SER A 64 18.153 -5.122 5.690 1.00 0.00 N ATOM 528 CA SER A 64 18.004 -4.169 4.596 1.00 0.00 C ATOM 529 C SER A 64 16.640 -4.320 3.932 1.00 0.00 C ATOM 530 O SER A 64 15.938 -3.336 3.697 1.00 0.00 O ATOM 531 CB SER A 64 19.113 -4.369 3.562 1.00 0.00 C ATOM 532 OG SER A 64 20.380 -4.030 4.099 1.00 0.00 O ATOM 0 H SER A 64 18.923 -5.781 5.574 1.00 0.00 H new ATOM 0 HA SER A 64 18.081 -3.163 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.122 -5.407 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.911 -3.755 2.684 1.00 0.00 H new ATOM 0 HG SER A 64 21.071 -4.168 3.418 1.00 0.00 H new ATOM 538 N LEU A 65 16.269 -5.561 3.637 1.00 0.00 N ATOM 539 CA LEU A 65 14.987 -5.847 3.005 1.00 0.00 C ATOM 540 C LEU A 65 13.858 -5.779 4.027 1.00 0.00 C ATOM 541 O LEU A 65 12.732 -5.401 3.701 1.00 0.00 O ATOM 542 CB LEU A 65 15.017 -7.230 2.351 1.00 0.00 C ATOM 543 CG LEU A 65 14.132 -7.383 1.113 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.672 -7.152 1.468 1.00 0.00 C ATOM 545 CD2 LEU A 65 14.576 -6.424 0.019 1.00 0.00 C ATOM 0 H LEU A 65 16.839 -6.386 3.826 1.00 0.00 H new ATOM 0 HA LEU A 65 14.807 -5.095 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.045 -7.461 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.712 -7.971 3.090 1.00 0.00 H new ATOM 0 HG LEU A 65 14.236 -8.402 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.058 -7.265 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.360 -7.880 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.550 -6.145 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.935 -6.547 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.503 -5.399 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.609 -6.638 -0.256 1.00 0.00 H new ATOM 557 N ARG A 66 14.168 -6.146 5.267 1.00 0.00 N ATOM 558 CA ARG A 66 13.180 -6.127 6.338 1.00 0.00 C ATOM 559 C ARG A 66 12.678 -4.709 6.589 1.00 0.00 C ATOM 560 O ARG A 66 11.472 -4.460 6.577 1.00 0.00 O ATOM 561 CB ARG A 66 13.777 -6.707 7.621 1.00 0.00 C ATOM 562 CG ARG A 66 14.043 -8.202 7.543 1.00 0.00 C ATOM 563 CD ARG A 66 14.996 -8.657 8.636 1.00 0.00 C ATOM 564 NE ARG A 66 15.000 -10.110 8.788 1.00 0.00 N ATOM 565 CZ ARG A 66 15.556 -10.746 9.817 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.152 -10.061 10.785 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.517 -12.070 9.878 1.00 0.00 N ATOM 0 H ARG A 66 15.095 -6.460 5.554 1.00 0.00 H new ATOM 0 HA ARG A 66 12.334 -6.742 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.711 -6.191 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.098 -6.509 8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.102 -8.745 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.463 -8.447 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.004 -8.314 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.711 -8.194 9.581 1.00 0.00 H new ATOM 0 HE ARG A 66 14.551 -10.670 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.186 -9.042 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.576 -10.553 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.061 -12.601 9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.943 -12.557 10.666 1.00 0.00 H new ATOM 581 N ASN A 67 13.604 -3.779 6.807 1.00 0.00 N ATOM 582 CA ASN A 67 13.233 -2.389 7.049 1.00 0.00 C ATOM 583 C ASN A 67 12.470 -1.832 5.853 1.00 0.00 C ATOM 584 O ASN A 67 11.585 -0.990 6.004 1.00 0.00 O ATOM 585 CB ASN A 67 14.469 -1.533 7.346 1.00 0.00 C ATOM 586 CG ASN A 67 15.459 -1.491 6.197 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.078 -1.368 5.034 1.00 0.00 O ATOM 588 ND2 ASN A 67 16.743 -1.585 6.522 1.00 0.00 N ATOM 0 H ASN A 67 14.608 -3.961 6.821 1.00 0.00 H new ATOM 0 HA ASN A 67 12.585 -2.356 7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.151 -0.517 7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.968 -1.923 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.457 -1.556 5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.016 -1.686 7.500 1.00 0.00 H new ATOM 595 N ARG A 68 12.807 -2.324 4.665 1.00 0.00 N ATOM 596 CA ARG A 68 12.146 -1.895 3.442 1.00 0.00 C ATOM 597 C ARG A 68 10.688 -2.343 3.447 1.00 0.00 C ATOM 598 O ARG A 68 9.819 -1.682 2.880 1.00 0.00 O ATOM 599 CB ARG A 68 12.870 -2.476 2.228 1.00 0.00 C ATOM 600 CG ARG A 68 12.527 -1.786 0.921 1.00 0.00 C ATOM 601 CD ARG A 68 12.061 -2.784 -0.126 1.00 0.00 C ATOM 602 NE ARG A 68 11.757 -2.141 -1.402 1.00 0.00 N ATOM 603 CZ ARG A 68 11.696 -2.790 -2.563 1.00 0.00 C ATOM 604 NH1 ARG A 68 11.914 -4.099 -2.612 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.414 -2.130 -3.677 1.00 0.00 N ATOM 0 H ARG A 68 13.537 -3.023 4.525 1.00 0.00 H new ATOM 0 HA ARG A 68 12.177 -0.807 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.946 -2.409 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.626 -3.535 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.746 -1.045 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.400 -1.249 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.833 -3.539 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.174 -3.303 0.238 1.00 0.00 H new ATOM 0 HE ARG A 68 11.581 -1.136 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.129 -4.612 -1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.866 -4.591 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.244 -1.125 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.367 -2.627 -4.566 1.00 0.00 H new ATOM 619 N TYR A 69 10.435 -3.473 4.101 1.00 0.00 N ATOM 620 CA TYR A 69 9.089 -4.024 4.199 1.00 0.00 C ATOM 621 C TYR A 69 8.151 -3.040 4.891 1.00 0.00 C ATOM 622 O TYR A 69 7.125 -2.648 4.335 1.00 0.00 O ATOM 623 CB TYR A 69 9.123 -5.346 4.971 1.00 0.00 C ATOM 624 CG TYR A 69 7.804 -6.084 4.987 1.00 0.00 C ATOM 625 CD1 TYR A 69 6.708 -5.578 5.675 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.656 -7.292 4.317 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.503 -6.254 5.695 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.455 -7.973 4.331 1.00 0.00 C ATOM 629 CZ TYR A 69 5.381 -7.451 5.021 1.00 0.00 C ATOM 630 OH TYR A 69 4.183 -8.128 5.038 1.00 0.00 O ATOM 0 H TYR A 69 11.150 -4.027 4.573 1.00 0.00 H new ATOM 0 HA TYR A 69 8.715 -4.205 3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.883 -5.992 4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.429 -5.147 5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.799 -4.640 6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.494 -7.705 3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.661 -5.847 6.236 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.357 -8.910 3.804 1.00 0.00 H new ATOM 0 HH TYR A 69 3.521 -7.635 4.510 1.00 0.00 H new ATOM 640 N ASN A 70 8.512 -2.648 6.109 1.00 0.00 N ATOM 641 CA ASN A 70 7.705 -1.711 6.882 1.00 0.00 C ATOM 642 C ASN A 70 7.840 -0.292 6.337 1.00 0.00 C ATOM 643 O ASN A 70 6.919 0.516 6.451 1.00 0.00 O ATOM 644 CB ASN A 70 8.120 -1.744 8.354 1.00 0.00 C ATOM 645 CG ASN A 70 7.507 -2.912 9.102 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.479 -2.769 9.765 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.137 -4.076 8.999 1.00 0.00 N ATOM 0 H ASN A 70 9.358 -2.965 6.582 1.00 0.00 H new ATOM 0 HA ASN A 70 6.662 -2.015 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.206 -1.803 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.821 -0.812 8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.772 -4.898 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.986 -4.148 8.438 1.00 0.00 H new ATOM 654 N ASN A 71 8.993 0.005 5.746 1.00 0.00 N ATOM 655 CA ASN A 71 9.243 1.328 5.185 1.00 0.00 C ATOM 656 C ASN A 71 8.243 1.649 4.079 1.00 0.00 C ATOM 657 O ASN A 71 7.482 2.612 4.176 1.00 0.00 O ATOM 658 CB ASN A 71 10.670 1.413 4.639 1.00 0.00 C ATOM 659 CG ASN A 71 11.010 2.797 4.123 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.390 3.787 4.512 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.001 2.874 3.242 1.00 0.00 N ATOM 0 H ASN A 71 9.767 -0.651 5.643 1.00 0.00 H new ATOM 0 HA ASN A 71 9.122 2.061 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.374 1.138 5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.792 0.688 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.275 3.779 2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.488 2.028 2.947 1.00 0.00 H new ATOM 668 N LEU A 72 8.251 0.837 3.027 1.00 0.00 N ATOM 669 CA LEU A 72 7.345 1.035 1.902 1.00 0.00 C ATOM 670 C LEU A 72 5.890 1.006 2.361 1.00 0.00 C ATOM 671 O LEU A 72 5.052 1.748 1.848 1.00 0.00 O ATOM 672 CB LEU A 72 7.579 -0.036 0.834 1.00 0.00 C ATOM 673 CG LEU A 72 7.308 -1.473 1.285 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.816 -1.773 1.250 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.073 -2.458 0.412 1.00 0.00 C ATOM 0 H LEU A 72 8.875 0.036 2.930 1.00 0.00 H new ATOM 0 HA LEU A 72 7.551 2.015 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.945 0.185 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.612 0.033 0.493 1.00 0.00 H new ATOM 0 HG LEU A 72 7.655 -1.582 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.644 -2.799 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.292 -1.089 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.443 -1.646 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.869 -3.475 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.757 -2.347 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.142 -2.258 0.489 1.00 0.00 H new ATOM 687 N TYR A 73 5.595 0.145 3.331 1.00 0.00 N ATOM 688 CA TYR A 73 4.240 0.024 3.855 1.00 0.00 C ATOM 689 C TYR A 73 3.896 1.207 4.753 1.00 0.00 C ATOM 690 O TYR A 73 2.742 1.629 4.824 1.00 0.00 O ATOM 691 CB TYR A 73 4.078 -1.285 4.631 1.00 0.00 C ATOM 692 CG TYR A 73 2.641 -1.611 4.975 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.618 -1.378 4.064 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.308 -2.149 6.212 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.304 -1.672 4.375 1.00 0.00 C ATOM 696 CE2 TYR A 73 0.996 -2.448 6.530 1.00 0.00 C ATOM 697 CZ TYR A 73 -0.001 -2.207 5.609 1.00 0.00 C ATOM 698 OH TYR A 73 -1.308 -2.502 5.922 1.00 0.00 O ATOM 0 H TYR A 73 6.275 -0.477 3.768 1.00 0.00 H new ATOM 0 HA TYR A 73 3.553 0.020 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.496 -2.101 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.659 -1.226 5.551 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.854 -0.960 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.086 -2.337 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.480 -1.484 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.754 -2.868 7.495 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.352 -2.873 6.828 1.00 0.00 H new ATOM 708 N SER A 74 4.905 1.743 5.435 1.00 0.00 N ATOM 709 CA SER A 74 4.705 2.882 6.325 1.00 0.00 C ATOM 710 C SER A 74 3.990 4.013 5.593 1.00 0.00 C ATOM 711 O SER A 74 3.085 4.647 6.136 1.00 0.00 O ATOM 712 CB SER A 74 6.048 3.375 6.872 1.00 0.00 C ATOM 713 OG SER A 74 6.225 2.977 8.221 1.00 0.00 O ATOM 0 H SER A 74 5.867 1.407 5.388 1.00 0.00 H new ATOM 0 HA SER A 74 4.084 2.559 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.860 2.979 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.097 4.462 6.800 1.00 0.00 H new ATOM 0 HG SER A 74 7.090 3.302 8.547 1.00 0.00 H new ATOM 719 N HIS A 75 4.397 4.250 4.350 1.00 0.00 N ATOM 720 CA HIS A 75 3.790 5.293 3.535 1.00 0.00 C ATOM 721 C HIS A 75 2.420 4.848 3.035 1.00 0.00 C ATOM 722 O HIS A 75 1.518 5.665 2.855 1.00 0.00 O ATOM 723 CB HIS A 75 4.693 5.637 2.349 1.00 0.00 C ATOM 724 CG HIS A 75 5.904 6.432 2.728 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.708 6.113 3.803 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.450 7.537 2.167 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.694 6.989 3.887 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.561 7.862 2.906 1.00 0.00 N ATOM 0 H HIS A 75 5.144 3.733 3.886 1.00 0.00 H new ATOM 0 HA HIS A 75 3.667 6.183 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.012 4.713 1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.116 6.198 1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.081 8.064 1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.476 6.990 4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.183 8.650 2.726 1.00 0.00 H new ATOM 737 N THR A 76 2.273 3.545 2.814 1.00 0.00 N ATOM 738 CA THR A 76 1.014 2.985 2.336 1.00 0.00 C ATOM 739 C THR A 76 -0.094 3.170 3.371 1.00 0.00 C ATOM 740 O THR A 76 -1.227 3.506 3.028 1.00 0.00 O ATOM 741 CB THR A 76 1.186 1.497 2.016 1.00 0.00 C ATOM 742 OG1 THR A 76 2.095 1.318 0.945 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.109 0.807 1.639 1.00 0.00 C ATOM 0 H THR A 76 3.012 2.857 2.959 1.00 0.00 H new ATOM 0 HA THR A 76 0.729 3.517 1.428 1.00 0.00 H new ATOM 0 HB THR A 76 1.561 1.047 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.010 1.462 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.087 -0.244 1.425 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.816 0.883 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.531 1.284 0.755 1.00 0.00 H new ATOM 751 N GLN A 77 0.240 2.941 4.635 1.00 0.00 N ATOM 752 CA GLN A 77 -0.727 3.073 5.719 1.00 0.00 C ATOM 753 C GLN A 77 -1.241 4.506 5.835 1.00 0.00 C ATOM 754 O GLN A 77 -2.449 4.740 5.867 1.00 0.00 O ATOM 755 CB GLN A 77 -0.099 2.639 7.044 1.00 0.00 C ATOM 756 CG GLN A 77 0.175 1.147 7.128 1.00 0.00 C ATOM 757 CD GLN A 77 -0.933 0.390 7.833 1.00 0.00 C ATOM 758 OE1 GLN A 77 -2.104 0.761 7.751 1.00 0.00 O ATOM 759 NE2 GLN A 77 -0.568 -0.678 8.533 1.00 0.00 N ATOM 0 H GLN A 77 1.174 2.663 4.935 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.573 2.425 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.836 3.180 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.761 2.925 7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.300 0.747 6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.115 0.983 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.414 -0.950 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.270 -1.227 9.030 1.00 0.00 H new ATOM 768 N ARG A 78 -0.319 5.460 5.909 1.00 0.00 N ATOM 769 CA ARG A 78 -0.685 6.867 6.036 1.00 0.00 C ATOM 770 C ARG A 78 -1.386 7.382 4.781 1.00 0.00 C ATOM 771 O ARG A 78 -2.285 8.219 4.865 1.00 0.00 O ATOM 772 CB ARG A 78 0.553 7.716 6.331 1.00 0.00 C ATOM 773 CG ARG A 78 1.658 7.570 5.297 1.00 0.00 C ATOM 774 CD ARG A 78 1.557 8.632 4.212 1.00 0.00 C ATOM 775 NE ARG A 78 2.769 9.444 4.127 1.00 0.00 N ATOM 776 CZ ARG A 78 3.024 10.486 4.917 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.153 10.852 5.848 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.154 11.165 4.773 1.00 0.00 N ATOM 0 H ARG A 78 0.686 5.286 5.883 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.384 6.951 6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.258 8.764 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.946 7.441 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.628 7.643 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.604 6.580 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.374 8.152 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.702 9.277 4.414 1.00 0.00 H new ATOM 0 HE ARG A 78 3.462 9.198 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.281 10.335 5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.355 11.651 6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.827 10.889 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.350 11.963 5.377 1.00 0.00 H new ATOM 792 N THR A 79 -0.973 6.887 3.618 1.00 0.00 N ATOM 793 CA THR A 79 -1.572 7.313 2.356 1.00 0.00 C ATOM 794 C THR A 79 -3.068 7.020 2.330 1.00 0.00 C ATOM 795 O THR A 79 -3.881 7.919 2.114 1.00 0.00 O ATOM 796 CB THR A 79 -0.890 6.624 1.174 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.499 5.308 1.518 1.00 0.00 O ATOM 798 CG2 THR A 79 0.339 7.358 0.682 1.00 0.00 C ATOM 0 H THR A 79 -0.230 6.194 3.522 1.00 0.00 H new ATOM 0 HA THR A 79 -1.428 8.390 2.271 1.00 0.00 H new ATOM 0 HB THR A 79 -1.632 6.617 0.375 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.438 5.309 1.804 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.775 6.816 -0.157 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.059 8.361 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.069 7.426 1.488 1.00 0.00 H new ATOM 806 N LEU A 80 -3.428 5.759 2.551 1.00 0.00 N ATOM 807 CA LEU A 80 -4.831 5.356 2.551 1.00 0.00 C ATOM 808 C LEU A 80 -5.632 6.179 3.554 1.00 0.00 C ATOM 809 O LEU A 80 -6.798 6.496 3.321 1.00 0.00 O ATOM 810 CB LEU A 80 -4.962 3.867 2.877 1.00 0.00 C ATOM 811 CG LEU A 80 -4.123 2.930 2.005 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.014 1.559 2.649 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.723 2.825 0.615 1.00 0.00 C ATOM 0 H LEU A 80 -2.770 5.001 2.732 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.232 5.536 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.682 3.714 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.010 3.582 2.783 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.119 3.344 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.414 0.906 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.539 1.653 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.010 1.133 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.116 2.155 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.737 2.432 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.748 3.812 0.154 1.00 0.00 H new ATOM 825 N ASP A 81 -4.996 6.529 4.669 1.00 0.00 N ATOM 826 CA ASP A 81 -5.648 7.322 5.705 1.00 0.00 C ATOM 827 C ASP A 81 -6.156 8.640 5.129 1.00 0.00 C ATOM 828 O ASP A 81 -7.186 9.161 5.554 1.00 0.00 O ATOM 829 CB ASP A 81 -4.679 7.594 6.856 1.00 0.00 C ATOM 830 CG ASP A 81 -5.389 7.738 8.188 1.00 0.00 C ATOM 831 OD1 ASP A 81 -5.995 6.747 8.648 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.338 8.841 8.771 1.00 0.00 O ATOM 0 H ASP A 81 -4.030 6.276 4.877 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.498 6.756 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.956 6.780 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.117 8.504 6.647 1.00 0.00 H new ATOM 837 N MET A 82 -5.425 9.166 4.152 1.00 0.00 N ATOM 838 CA MET A 82 -5.798 10.418 3.505 1.00 0.00 C ATOM 839 C MET A 82 -6.927 10.189 2.505 1.00 0.00 C ATOM 840 O MET A 82 -7.719 11.090 2.230 1.00 0.00 O ATOM 841 CB MET A 82 -4.585 11.030 2.801 1.00 0.00 C ATOM 842 CG MET A 82 -3.528 11.555 3.759 1.00 0.00 C ATOM 843 SD MET A 82 -1.862 11.451 3.079 1.00 0.00 S ATOM 844 CE MET A 82 -2.127 12.104 1.432 1.00 0.00 C ATOM 0 H MET A 82 -4.570 8.744 3.791 1.00 0.00 H new ATOM 0 HA MET A 82 -6.149 11.111 4.270 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.135 10.279 2.152 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.920 11.846 2.160 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.751 12.593 4.007 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.573 10.989 4.689 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.184 12.104 0.885 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.852 11.482 0.906 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.506 13.124 1.501 1.00 0.00 H new ATOM 854 N ALA A 83 -6.998 8.973 1.969 1.00 0.00 N ATOM 855 CA ALA A 83 -8.034 8.621 1.006 1.00 0.00 C ATOM 856 C ALA A 83 -9.333 8.261 1.716 1.00 0.00 C ATOM 857 O ALA A 83 -10.421 8.609 1.257 1.00 0.00 O ATOM 858 CB ALA A 83 -7.570 7.468 0.129 1.00 0.00 C ATOM 0 H ALA A 83 -6.350 8.216 2.186 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.222 9.488 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.354 7.216 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.669 7.760 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.355 6.600 0.753 1.00 0.00 H new ATOM 864 N ASP A 84 -9.211 7.567 2.843 1.00 0.00 N ATOM 865 CA ASP A 84 -10.374 7.162 3.625 1.00 0.00 C ATOM 866 C ASP A 84 -10.691 8.201 4.697 1.00 0.00 C ATOM 867 O ASP A 84 -10.939 7.861 5.854 1.00 0.00 O ATOM 868 CB ASP A 84 -10.129 5.799 4.275 1.00 0.00 C ATOM 869 CG ASP A 84 -11.396 4.975 4.388 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.491 5.574 4.437 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.294 3.731 4.428 1.00 0.00 O ATOM 0 H ASP A 84 -8.317 7.273 3.236 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.228 7.085 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.392 5.248 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.704 5.945 5.268 1.00 0.00 H new ATOM 876 N MET A 85 -10.678 9.470 4.304 1.00 0.00 N ATOM 877 CA MET A 85 -10.961 10.561 5.229 1.00 0.00 C ATOM 878 C MET A 85 -12.006 11.512 4.655 1.00 0.00 C ATOM 879 O MET A 85 -12.904 11.965 5.365 1.00 0.00 O ATOM 880 CB MET A 85 -9.677 11.330 5.549 1.00 0.00 C ATOM 881 CG MET A 85 -9.835 12.329 6.685 1.00 0.00 C ATOM 882 SD MET A 85 -8.701 12.018 8.053 1.00 0.00 S ATOM 883 CE MET A 85 -8.320 13.691 8.564 1.00 0.00 C ATOM 0 H MET A 85 -10.474 9.769 3.350 1.00 0.00 H new ATOM 0 HA MET A 85 -11.359 10.128 6.147 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.892 10.619 5.807 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.347 11.858 4.655 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.668 13.336 6.303 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.860 12.294 7.054 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.986 13.687 9.601 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.531 14.094 7.930 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.212 14.311 8.472 1.00 0.00 H new ATOM 893 N GLN A 86 -11.882 11.814 3.365 1.00 0.00 N ATOM 894 CA GLN A 86 -12.815 12.714 2.692 1.00 0.00 C ATOM 895 C GLN A 86 -14.265 12.337 2.991 1.00 0.00 C ATOM 896 O GLN A 86 -15.153 13.189 2.972 1.00 0.00 O ATOM 897 CB GLN A 86 -12.573 12.694 1.182 1.00 0.00 C ATOM 898 CG GLN A 86 -13.161 13.893 0.456 1.00 0.00 C ATOM 899 CD GLN A 86 -12.455 15.189 0.804 1.00 0.00 C ATOM 900 OE1 GLN A 86 -11.636 15.236 1.722 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.772 16.250 0.071 1.00 0.00 N ATOM 0 H GLN A 86 -11.144 11.448 2.764 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.640 13.721 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.500 12.657 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.001 11.782 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.100 13.728 -0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.218 13.981 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.457 16.165 -0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.331 17.150 0.259 1.00 0.00 H new ATOM 910 N HIS A 87 -14.497 11.057 3.267 1.00 0.00 N ATOM 911 CA HIS A 87 -15.841 10.574 3.571 1.00 0.00 C ATOM 912 C HIS A 87 -16.200 10.853 5.028 1.00 0.00 C ATOM 913 O HIS A 87 -16.473 9.932 5.799 1.00 0.00 O ATOM 914 CB HIS A 87 -15.957 9.071 3.286 1.00 0.00 C ATOM 915 CG HIS A 87 -15.025 8.578 2.221 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.769 8.078 2.493 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.173 8.505 0.876 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.185 7.721 1.364 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.016 7.969 0.369 1.00 0.00 N ATOM 0 H HIS A 87 -13.775 10.337 3.287 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.540 11.109 2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.763 8.521 4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.982 8.846 2.990 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.040 8.811 0.309 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.196 7.298 1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.828 7.791 -0.618 1.00 0.00 H new ATOM 928 N ARG A 88 -16.196 12.128 5.399 1.00 0.00 N ATOM 929 CA ARG A 88 -16.519 12.528 6.764 1.00 0.00 C ATOM 930 C ARG A 88 -17.926 12.080 7.147 1.00 0.00 C ATOM 931 O ARG A 88 -18.205 11.811 8.316 1.00 0.00 O ATOM 932 CB ARG A 88 -16.398 14.046 6.915 1.00 0.00 C ATOM 933 CG ARG A 88 -15.022 14.586 6.557 1.00 0.00 C ATOM 934 CD ARG A 88 -13.970 14.150 7.564 1.00 0.00 C ATOM 935 NE ARG A 88 -13.200 15.282 8.076 1.00 0.00 N ATOM 936 CZ ARG A 88 -13.632 16.101 9.033 1.00 0.00 C ATOM 937 NH1 ARG A 88 -14.824 15.917 9.587 1.00 0.00 N ATOM 938 NH2 ARG A 88 -12.868 17.107 9.438 1.00 0.00 N ATOM 0 H ARG A 88 -15.973 12.903 4.774 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.808 12.043 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -17.144 14.526 6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.630 14.320 7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.741 14.238 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.057 15.675 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.454 13.636 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.294 13.434 7.096 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.277 15.455 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.415 15.145 9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.149 16.548 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.951 17.253 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.198 17.735 10.171 1.00 0.00 H new ATOM 952 N TYR A 89 -18.809 12.003 6.157 1.00 0.00 N ATOM 953 CA TYR A 89 -20.188 11.590 6.392 1.00 0.00 C ATOM 954 C TYR A 89 -20.297 10.071 6.474 1.00 0.00 C ATOM 955 O TYR A 89 -20.786 9.527 7.464 1.00 0.00 O ATOM 956 CB TYR A 89 -21.097 12.119 5.281 1.00 0.00 C ATOM 957 CG TYR A 89 -22.524 12.347 5.724 1.00 0.00 C ATOM 958 CD1 TYR A 89 -22.805 13.007 6.914 1.00 0.00 C ATOM 959 CD2 TYR A 89 -23.590 11.903 4.953 1.00 0.00 C ATOM 960 CE1 TYR A 89 -24.108 13.217 7.323 1.00 0.00 C ATOM 961 CE2 TYR A 89 -24.896 12.110 5.355 1.00 0.00 C ATOM 962 CZ TYR A 89 -25.150 12.767 6.540 1.00 0.00 C ATOM 963 OH TYR A 89 -26.448 12.975 6.944 1.00 0.00 O ATOM 0 H TYR A 89 -18.594 12.221 5.184 1.00 0.00 H new ATOM 0 HA TYR A 89 -20.508 12.010 7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -20.688 13.057 4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -21.091 11.412 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -21.991 13.362 7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -23.395 11.388 4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -24.309 13.731 8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -25.714 11.759 4.744 1.00 0.00 H new ATOM 0 HH TYR A 89 -27.062 12.598 6.280 1.00 0.00 H new ATOM 973 N MET A 90 -19.840 9.391 5.427 1.00 0.00 N ATOM 974 CA MET A 90 -19.889 7.934 5.380 1.00 0.00 C ATOM 975 C MET A 90 -19.142 7.322 6.562 1.00 0.00 C ATOM 976 O MET A 90 -19.739 6.661 7.412 1.00 0.00 O ATOM 977 CB MET A 90 -19.292 7.425 4.067 1.00 0.00 C ATOM 978 CG MET A 90 -20.040 7.904 2.833 1.00 0.00 C ATOM 979 SD MET A 90 -18.972 8.059 1.389 1.00 0.00 S ATOM 980 CE MET A 90 -19.100 9.815 1.062 1.00 0.00 C ATOM 0 H MET A 90 -19.432 9.826 4.600 1.00 0.00 H new ATOM 0 HA MET A 90 -20.934 7.631 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 90 -18.253 7.748 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.287 6.335 4.078 1.00 0.00 H new ATOM 0 HG2 MET A 90 -20.848 7.207 2.609 1.00 0.00 H new ATOM 0 HG3 MET A 90 -20.501 8.869 3.044 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.015 9.993 -0.010 1.00 0.00 H new ATOM 0 HE2 MET A 90 -20.064 10.182 1.416 1.00 0.00 H new ATOM 0 HE3 MET A 90 -18.299 10.341 1.581 1.00 0.00 H new ATOM 990 N THR A 91 -17.832 7.546 6.609 1.00 0.00 N ATOM 991 CA THR A 91 -17.005 7.015 7.687 1.00 0.00 C ATOM 992 C THR A 91 -16.532 8.132 8.612 1.00 0.00 C ATOM 993 O THR A 91 -16.400 9.283 8.196 1.00 0.00 O ATOM 994 CB THR A 91 -15.799 6.268 7.113 1.00 0.00 C ATOM 995 OG1 THR A 91 -14.902 5.896 8.145 1.00 0.00 O ATOM 996 CG2 THR A 91 -15.020 7.076 6.097 1.00 0.00 C ATOM 0 H THR A 91 -17.321 8.091 5.914 1.00 0.00 H new ATOM 0 HA THR A 91 -17.612 6.320 8.267 1.00 0.00 H new ATOM 0 HB THR A 91 -16.214 5.392 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.139 5.418 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 91 -14.179 6.487 5.731 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.671 7.336 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.648 7.987 6.565 1.00 0.00 H new ATOM 1004 N GLY A 92 -16.277 7.783 9.869 1.00 0.00 N ATOM 1005 CA GLY A 92 -15.820 8.767 10.833 1.00 0.00 C ATOM 1006 C GLY A 92 -14.309 8.796 10.957 1.00 0.00 C ATOM 1007 O GLY A 92 -13.754 8.381 11.974 1.00 0.00 O ATOM 0 H GLY A 92 -16.379 6.837 10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.177 9.754 10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.258 8.548 11.807 1.00 0.00 H new ATOM 1011 N ALA A 93 -13.644 9.287 9.917 1.00 0.00 N ATOM 1012 CA ALA A 93 -12.188 9.368 9.910 1.00 0.00 C ATOM 1013 C ALA A 93 -11.679 10.229 11.061 1.00 0.00 C ATOM 1014 O ALA A 93 -11.009 9.736 11.969 1.00 0.00 O ATOM 1015 CB ALA A 93 -11.701 9.922 8.580 1.00 0.00 C ATOM 0 H ALA A 93 -14.090 9.635 9.068 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.791 8.362 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.612 9.978 8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -12.026 9.267 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.115 10.919 8.428 1.00 0.00 H new ATOM 1021 N SER A 94 -12.002 11.517 11.017 1.00 0.00 N ATOM 1022 CA SER A 94 -11.577 12.448 12.056 1.00 0.00 C ATOM 1023 C SER A 94 -12.246 13.808 11.873 1.00 0.00 C ATOM 1024 O SER A 94 -13.217 13.937 11.127 1.00 0.00 O ATOM 1025 CB SER A 94 -10.053 12.602 12.037 1.00 0.00 C ATOM 1026 OG SER A 94 -9.486 12.211 13.276 1.00 0.00 O ATOM 0 H SER A 94 -12.557 11.940 10.273 1.00 0.00 H new ATOM 0 HA SER A 94 -11.880 12.044 13.022 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.633 11.996 11.234 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.792 13.639 11.825 1.00 0.00 H new ATOM 0 HG SER A 94 -8.512 12.317 13.238 1.00 0.00 H new ATOM 1032 N GLY A 95 -11.722 14.819 12.559 1.00 0.00 N ATOM 1033 CA GLY A 95 -12.284 16.153 12.457 1.00 0.00 C ATOM 1034 C GLY A 95 -11.222 17.224 12.305 1.00 0.00 C ATOM 1035 O GLY A 95 -11.008 18.029 13.212 1.00 0.00 O ATOM 0 H GLY A 95 -10.919 14.738 13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.960 16.194 11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.880 16.361 13.346 1.00 0.00 H new ATOM 1039 N ILE A 96 -10.556 17.237 11.154 1.00 0.00 N ATOM 1040 CA ILE A 96 -9.513 18.221 10.888 1.00 0.00 C ATOM 1041 C ILE A 96 -9.695 18.859 9.516 1.00 0.00 C ATOM 1042 O ILE A 96 -10.435 18.350 8.674 1.00 0.00 O ATOM 1043 CB ILE A 96 -8.108 17.593 10.960 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -7.989 16.437 9.964 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -7.813 17.119 12.375 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -6.658 15.719 10.023 1.00 0.00 C ATOM 0 H ILE A 96 -10.720 16.579 10.392 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.602 18.985 11.660 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.372 18.351 10.692 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -8.787 15.720 10.156 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.141 16.821 8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.817 16.678 12.411 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.859 17.966 13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.551 16.373 12.670 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.647 14.913 9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.855 16.422 9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.512 15.304 11.020 1.00 0.00 H new ATOM 1058 N ASN A 97 -9.010 19.976 9.300 1.00 0.00 N ATOM 1059 CA ASN A 97 -9.087 20.692 8.028 1.00 0.00 C ATOM 1060 C ASN A 97 -8.796 19.756 6.856 1.00 0.00 C ATOM 1061 O ASN A 97 -8.356 18.623 7.051 1.00 0.00 O ATOM 1062 CB ASN A 97 -8.103 21.870 8.009 1.00 0.00 C ATOM 1063 CG ASN A 97 -6.819 21.582 8.769 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -6.174 20.465 8.450 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -6.411 22.358 9.634 1.00 0.00 N flip ATOM 0 H ASN A 97 -8.394 20.407 9.989 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.102 21.076 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.860 22.117 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.586 22.747 8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.937 23.205 9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.547 22.153 10.136 1.00 0.00 H new ATOM 1072 N PRO A 98 -9.037 20.220 5.617 1.00 0.00 N ATOM 1073 CA PRO A 98 -8.803 19.434 4.411 1.00 0.00 C ATOM 1074 C PRO A 98 -7.366 19.559 3.905 1.00 0.00 C ATOM 1075 O PRO A 98 -7.114 19.433 2.707 1.00 0.00 O ATOM 1076 CB PRO A 98 -9.783 20.041 3.393 1.00 0.00 C ATOM 1077 CG PRO A 98 -10.358 21.273 4.034 1.00 0.00 C ATOM 1078 CD PRO A 98 -9.560 21.542 5.282 1.00 0.00 C ATOM 0 HA PRO A 98 -8.952 18.368 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.271 20.291 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.571 19.331 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.303 22.122 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.411 21.125 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.760 22.261 5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.181 21.947 6.081 1.00 0.00 H new ATOM 1086 N GLY A 99 -6.436 19.812 4.832 1.00 0.00 N ATOM 1087 CA GLY A 99 -5.021 19.959 4.497 1.00 0.00 C ATOM 1088 C GLY A 99 -4.625 19.334 3.168 1.00 0.00 C ATOM 1089 O GLY A 99 -4.022 19.993 2.322 1.00 0.00 O ATOM 0 H GLY A 99 -6.643 19.919 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.773 21.020 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.423 19.509 5.290 1.00 0.00 H new ATOM 1093 N MET A 100 -4.955 18.058 2.992 1.00 0.00 N ATOM 1094 CA MET A 100 -4.618 17.347 1.763 1.00 0.00 C ATOM 1095 C MET A 100 -5.824 17.237 0.833 1.00 0.00 C ATOM 1096 O MET A 100 -6.968 17.183 1.286 1.00 0.00 O ATOM 1097 CB MET A 100 -4.073 15.953 2.093 1.00 0.00 C ATOM 1098 CG MET A 100 -5.062 15.051 2.823 1.00 0.00 C ATOM 1099 SD MET A 100 -6.286 14.292 1.733 1.00 0.00 S ATOM 1100 CE MET A 100 -5.261 13.776 0.360 1.00 0.00 C ATOM 0 H MET A 100 -5.454 17.497 3.682 1.00 0.00 H new ATOM 0 HA MET A 100 -3.849 17.919 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.769 15.465 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.177 16.061 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.511 14.265 3.340 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.578 15.634 3.586 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.895 13.487 -0.479 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.614 14.600 0.059 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.649 12.926 0.662 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.557 17.203 -0.471 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.617 17.098 -1.469 1.00 0.00 C ATOM 1112 C LEU A 101 -6.869 15.635 -1.843 1.00 0.00 C ATOM 1113 O LEU A 101 -5.935 14.842 -1.940 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.255 17.904 -2.717 1.00 0.00 C ATOM 1115 CG LEU A 101 -6.351 19.423 -2.556 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -5.592 20.128 -3.670 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -7.807 19.863 -2.539 1.00 0.00 C ATOM 0 H LEU A 101 -4.615 17.247 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.531 17.506 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.238 17.649 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.911 17.598 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.896 19.699 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.672 21.207 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.543 19.835 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.017 19.848 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.859 20.946 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.285 19.574 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.322 19.385 -1.706 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.142 15.258 -2.057 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.521 13.881 -2.408 1.00 0.00 C ATOM 1131 C PRO A 102 -7.690 13.274 -3.542 1.00 0.00 C ATOM 1132 O PRO A 102 -7.719 12.061 -3.750 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.982 14.014 -2.835 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.487 15.206 -2.098 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.318 16.145 -1.965 1.00 0.00 C ATOM 0 HA PRO A 102 -8.353 13.207 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.068 14.150 -3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.552 13.120 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.307 15.679 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.872 14.923 -1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.316 16.896 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.341 16.681 -1.016 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.961 14.106 -4.278 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.146 13.619 -5.387 1.00 0.00 C ATOM 1145 C HIS A 103 -4.711 13.313 -4.950 1.00 0.00 C ATOM 1146 O HIS A 103 -3.930 12.748 -5.716 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.149 14.629 -6.537 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.249 15.809 -6.318 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.871 16.246 -5.066 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.652 16.643 -7.202 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.081 17.298 -5.189 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -3.932 17.559 -6.474 1.00 0.00 N ATOM 0 H HIS A 103 -6.917 15.114 -4.129 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.590 12.685 -5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.848 14.121 -7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.167 14.986 -6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.728 16.597 -8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.633 17.850 -4.376 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.373 18.318 -6.864 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.364 13.688 -3.723 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.021 13.442 -3.211 1.00 0.00 C ATOM 1163 C GLU A 104 -2.876 11.997 -2.746 1.00 0.00 C ATOM 1164 O GLU A 104 -1.891 11.329 -3.061 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.706 14.392 -2.056 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.835 15.860 -2.425 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.875 16.742 -1.652 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.674 16.405 -1.594 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -2.324 17.771 -1.103 1.00 0.00 O ATOM 0 H GLU A 104 -4.989 14.160 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.314 13.622 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.376 14.175 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.691 14.202 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.653 15.980 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.857 16.190 -2.237 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.861 11.522 -1.991 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.841 10.157 -1.479 1.00 0.00 C ATOM 1178 C ASN A 105 -3.858 9.141 -2.617 1.00 0.00 C ATOM 1179 O ASN A 105 -3.150 8.135 -2.570 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.028 9.917 -0.545 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.339 10.404 -1.127 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.743 9.989 -2.213 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.013 11.291 -0.404 1.00 0.00 N ATOM 0 H ASN A 105 -4.683 12.062 -1.720 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.916 10.026 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.105 8.851 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.846 10.422 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.903 11.655 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.641 11.608 0.491 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.668 9.405 -3.639 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.764 8.502 -4.780 1.00 0.00 C ATOM 1192 C VAL A 106 -3.407 8.336 -5.460 1.00 0.00 C ATOM 1193 O VAL A 106 -2.997 7.221 -5.784 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.799 8.993 -5.816 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.137 9.274 -5.148 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.299 10.230 -6.546 1.00 0.00 C ATOM 0 H VAL A 106 -5.263 10.231 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.095 7.539 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.938 8.200 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.852 9.619 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.510 8.362 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.009 10.043 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.048 10.553 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.120 11.029 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.370 9.995 -7.066 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.714 9.451 -5.667 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.402 9.426 -6.302 1.00 0.00 C ATOM 1208 C ASP A 107 -0.396 8.693 -5.422 1.00 0.00 C ATOM 1209 O ASP A 107 0.428 7.921 -5.911 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.918 10.852 -6.578 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.116 11.259 -8.025 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -2.237 11.078 -8.544 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.150 11.758 -8.639 1.00 0.00 O ATOM 0 H ASP A 107 -3.039 10.382 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.489 8.894 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.454 11.546 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.139 10.930 -6.323 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.474 8.939 -4.118 1.00 0.00 N ATOM 1219 CA ASP A 108 0.425 8.300 -3.167 1.00 0.00 C ATOM 1220 C ASP A 108 0.050 6.834 -2.967 1.00 0.00 C ATOM 1221 O ASP A 108 0.898 6.009 -2.627 1.00 0.00 O ATOM 1222 CB ASP A 108 0.393 9.036 -1.827 1.00 0.00 C ATOM 1223 CG ASP A 108 0.507 10.540 -1.988 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.103 10.985 -2.991 1.00 0.00 O ATOM 1225 OD2 ASP A 108 0.001 11.271 -1.112 1.00 0.00 O ATOM 0 H ASP A 108 -1.150 9.576 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 108 1.436 8.346 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.536 8.799 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.209 8.678 -1.200 1.00 0.00 H new ATOM 1230 N MET A 109 -1.224 6.515 -3.183 1.00 0.00 N ATOM 1231 CA MET A 109 -1.702 5.147 -3.029 1.00 0.00 C ATOM 1232 C MET A 109 -1.090 4.243 -4.093 1.00 0.00 C ATOM 1233 O MET A 109 -0.410 3.265 -3.778 1.00 0.00 O ATOM 1234 CB MET A 109 -3.230 5.105 -3.115 1.00 0.00 C ATOM 1235 CG MET A 109 -3.899 4.681 -1.817 1.00 0.00 C ATOM 1236 SD MET A 109 -4.989 5.951 -1.145 1.00 0.00 S ATOM 1237 CE MET A 109 -6.538 5.511 -1.929 1.00 0.00 C ATOM 0 H MET A 109 -1.940 7.184 -3.464 1.00 0.00 H new ATOM 0 HA MET A 109 -1.396 4.784 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.597 6.091 -3.399 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.523 4.416 -3.907 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.473 3.771 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.133 4.440 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.861 6.325 -2.579 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.402 4.606 -2.521 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.295 5.334 -1.165 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.330 4.581 -5.356 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.794 3.804 -6.469 1.00 0.00 C ATOM 1249 C ARG A 110 0.719 3.660 -6.344 1.00 0.00 C ATOM 1250 O ARG A 110 1.300 2.677 -6.803 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.150 4.464 -7.804 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.791 5.939 -7.872 1.00 0.00 C ATOM 1253 CD ARG A 110 0.590 6.150 -8.473 1.00 0.00 C ATOM 1254 NE ARG A 110 0.659 7.373 -9.268 1.00 0.00 N ATOM 1255 CZ ARG A 110 0.183 7.481 -10.507 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -0.397 6.443 -11.095 1.00 0.00 N ATOM 1257 NH2 ARG A 110 0.286 8.632 -11.158 1.00 0.00 N ATOM 0 H ARG A 110 -1.891 5.386 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.242 2.811 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.636 3.937 -8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.220 4.351 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.534 6.468 -8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.823 6.369 -6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.330 6.195 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.848 5.296 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 110 1.098 8.193 -8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.480 5.556 -10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.760 6.532 -12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.730 9.434 -10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.078 8.716 -12.107 1.00 0.00 H new ATOM 1271 N SER A 111 1.351 4.645 -5.712 1.00 0.00 N ATOM 1272 CA SER A 111 2.795 4.621 -5.518 1.00 0.00 C ATOM 1273 C SER A 111 3.197 3.430 -4.656 1.00 0.00 C ATOM 1274 O SER A 111 4.225 2.794 -4.893 1.00 0.00 O ATOM 1275 CB SER A 111 3.266 5.922 -4.866 1.00 0.00 C ATOM 1276 OG SER A 111 3.015 7.035 -5.706 1.00 0.00 O ATOM 0 H SER A 111 0.886 5.467 -5.327 1.00 0.00 H new ATOM 0 HA SER A 111 3.271 4.524 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.756 6.060 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.333 5.859 -4.650 1.00 0.00 H new ATOM 0 HG SER A 111 2.061 7.257 -5.679 1.00 0.00 H new ATOM 1282 N ALA A 112 2.372 3.128 -3.657 1.00 0.00 N ATOM 1283 CA ALA A 112 2.634 2.008 -2.763 1.00 0.00 C ATOM 1284 C ALA A 112 2.726 0.703 -3.544 1.00 0.00 C ATOM 1285 O ALA A 112 3.608 -0.119 -3.295 1.00 0.00 O ATOM 1286 CB ALA A 112 1.552 1.914 -1.697 1.00 0.00 C ATOM 0 H ALA A 112 1.517 3.644 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 112 3.592 2.180 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.763 1.072 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.534 2.835 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.583 1.767 -2.174 1.00 0.00 H new ATOM 1292 N ILE A 113 1.814 0.522 -4.494 1.00 0.00 N ATOM 1293 CA ILE A 113 1.803 -0.684 -5.312 1.00 0.00 C ATOM 1294 C ILE A 113 3.095 -0.803 -6.117 1.00 0.00 C ATOM 1295 O ILE A 113 3.528 -1.903 -6.454 1.00 0.00 O ATOM 1296 CB ILE A 113 0.580 -0.719 -6.262 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.056 -2.150 -6.395 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.921 -0.147 -7.634 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.088 -2.465 -5.456 1.00 0.00 C ATOM 0 H ILE A 113 1.077 1.192 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 113 1.728 -1.535 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.200 -0.093 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.272 -2.314 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.873 -2.846 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.040 -0.187 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.244 0.888 -7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.723 -0.733 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.408 -3.496 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.759 -2.333 -4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.922 -1.793 -5.660 1.00 0.00 H new ATOM 1311 N THR A 114 3.710 0.338 -6.416 1.00 0.00 N ATOM 1312 CA THR A 114 4.956 0.353 -7.171 1.00 0.00 C ATOM 1313 C THR A 114 6.038 -0.404 -6.411 1.00 0.00 C ATOM 1314 O THR A 114 6.802 -1.173 -6.994 1.00 0.00 O ATOM 1315 CB THR A 114 5.407 1.791 -7.431 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.361 2.548 -8.012 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.606 1.884 -8.350 1.00 0.00 C ATOM 0 H THR A 114 3.366 1.260 -6.148 1.00 0.00 H new ATOM 0 HA THR A 114 4.786 -0.137 -8.130 1.00 0.00 H new ATOM 0 HB THR A 114 5.685 2.188 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.669 3.465 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.874 2.931 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.447 1.351 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.361 1.437 -9.314 1.00 0.00 H new ATOM 1325 N ASP A 115 6.085 -0.185 -5.101 1.00 0.00 N ATOM 1326 CA ASP A 115 7.062 -0.851 -4.249 1.00 0.00 C ATOM 1327 C ASP A 115 6.581 -2.250 -3.878 1.00 0.00 C ATOM 1328 O ASP A 115 7.364 -3.199 -3.842 1.00 0.00 O ATOM 1329 CB ASP A 115 7.308 -0.032 -2.980 1.00 0.00 C ATOM 1330 CG ASP A 115 8.751 -0.101 -2.519 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.306 -1.218 -2.471 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.325 0.964 -2.207 1.00 0.00 O ATOM 0 H ASP A 115 5.457 0.449 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 115 7.997 -0.936 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.037 1.008 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.657 -0.395 -2.184 1.00 0.00 H new ATOM 1337 N TRP A 116 5.285 -2.368 -3.605 1.00 0.00 N ATOM 1338 CA TRP A 116 4.694 -3.650 -3.240 1.00 0.00 C ATOM 1339 C TRP A 116 4.739 -4.620 -4.415 1.00 0.00 C ATOM 1340 O TRP A 116 5.168 -5.765 -4.272 1.00 0.00 O ATOM 1341 CB TRP A 116 3.249 -3.455 -2.775 1.00 0.00 C ATOM 1342 CG TRP A 116 3.136 -3.150 -1.313 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.219 -1.922 -0.722 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.922 -4.091 -0.256 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.070 -2.042 0.638 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.887 -3.364 0.949 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.757 -5.478 -0.211 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.694 -3.979 2.183 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.565 -6.086 1.015 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.534 -5.337 2.197 1.00 0.00 C ATOM 0 H TRP A 116 4.625 -1.591 -3.630 1.00 0.00 H new ATOM 0 HA TRP A 116 5.276 -4.073 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.797 -2.643 -3.345 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.678 -4.357 -2.997 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.379 -0.992 -1.247 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.092 -1.273 1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.779 -6.064 -1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.671 -3.404 3.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.437 -7.157 1.062 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.381 -5.842 3.139 1.00 0.00 H new ATOM 1361 N SER A 117 4.301 -4.151 -5.579 1.00 0.00 N ATOM 1362 CA SER A 117 4.297 -4.973 -6.785 1.00 0.00 C ATOM 1363 C SER A 117 5.689 -5.538 -7.052 1.00 0.00 C ATOM 1364 O SER A 117 5.847 -6.727 -7.332 1.00 0.00 O ATOM 1365 CB SER A 117 3.828 -4.153 -7.988 1.00 0.00 C ATOM 1366 OG SER A 117 3.600 -4.983 -9.113 1.00 0.00 O ATOM 0 H SER A 117 3.944 -3.205 -5.713 1.00 0.00 H new ATOM 0 HA SER A 117 3.606 -5.802 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.912 -3.620 -7.734 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.577 -3.400 -8.233 1.00 0.00 H new ATOM 0 HG SER A 117 3.300 -4.435 -9.868 1.00 0.00 H new ATOM 1372 N ASP A 118 6.695 -4.674 -6.954 1.00 0.00 N ATOM 1373 CA ASP A 118 8.077 -5.082 -7.175 1.00 0.00 C ATOM 1374 C ASP A 118 8.474 -6.179 -6.194 1.00 0.00 C ATOM 1375 O ASP A 118 9.248 -7.076 -6.529 1.00 0.00 O ATOM 1376 CB ASP A 118 9.014 -3.882 -7.023 1.00 0.00 C ATOM 1377 CG ASP A 118 10.450 -4.221 -7.374 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.709 -4.562 -8.547 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.315 -4.145 -6.476 1.00 0.00 O ATOM 0 H ASP A 118 6.578 -3.687 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 118 8.162 -5.472 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.668 -3.071 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.970 -3.518 -5.997 1.00 0.00 H new ATOM 1384 N MET A 119 7.933 -6.102 -4.982 1.00 0.00 N ATOM 1385 CA MET A 119 8.224 -7.089 -3.951 1.00 0.00 C ATOM 1386 C MET A 119 7.672 -8.454 -4.344 1.00 0.00 C ATOM 1387 O MET A 119 8.288 -9.485 -4.080 1.00 0.00 O ATOM 1388 CB MET A 119 7.630 -6.652 -2.611 1.00 0.00 C ATOM 1389 CG MET A 119 8.261 -7.342 -1.413 1.00 0.00 C ATOM 1390 SD MET A 119 8.063 -6.402 0.113 1.00 0.00 S ATOM 1391 CE MET A 119 9.772 -6.197 0.609 1.00 0.00 C ATOM 0 H MET A 119 7.290 -5.365 -4.691 1.00 0.00 H new ATOM 0 HA MET A 119 9.306 -7.166 -3.849 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.750 -5.574 -2.504 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.559 -6.855 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.813 -8.328 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.323 -7.496 -1.605 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.859 -5.332 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.107 -7.089 1.138 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.392 -6.045 -0.275 1.00 0.00 H new ATOM 1401 N ARG A 120 6.507 -8.454 -4.983 1.00 0.00 N ATOM 1402 CA ARG A 120 5.876 -9.695 -5.416 1.00 0.00 C ATOM 1403 C ARG A 120 6.830 -10.515 -6.278 1.00 0.00 C ATOM 1404 O ARG A 120 7.011 -11.712 -6.057 1.00 0.00 O ATOM 1405 CB ARG A 120 4.593 -9.395 -6.194 1.00 0.00 C ATOM 1406 CG ARG A 120 3.493 -8.783 -5.342 1.00 0.00 C ATOM 1407 CD ARG A 120 2.428 -8.120 -6.200 1.00 0.00 C ATOM 1408 NE ARG A 120 1.346 -9.042 -6.539 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.378 -8.761 -7.408 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.352 -7.587 -8.027 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.567 -9.656 -7.659 1.00 0.00 N ATOM 0 H ARG A 120 5.982 -7.610 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 120 5.625 -10.277 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.826 -8.716 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.224 -10.319 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.035 -9.557 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.924 -8.048 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.019 -7.260 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.883 -7.743 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 120 1.332 -9.954 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.077 -6.894 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.392 -7.377 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.552 -10.560 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.309 -9.441 -8.325 1.00 0.00 H new ATOM 1425 N GLU A 121 7.442 -9.859 -7.259 1.00 0.00 N ATOM 1426 CA GLU A 121 8.382 -10.526 -8.154 1.00 0.00 C ATOM 1427 C GLU A 121 9.772 -10.599 -7.530 1.00 0.00 C ATOM 1428 O GLU A 121 10.449 -11.624 -7.616 1.00 0.00 O ATOM 1429 CB GLU A 121 8.451 -9.790 -9.494 1.00 0.00 C ATOM 1430 CG GLU A 121 7.438 -10.285 -10.513 1.00 0.00 C ATOM 1431 CD GLU A 121 7.498 -9.514 -11.817 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.421 -8.268 -11.774 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.621 -10.156 -12.882 1.00 0.00 O ATOM 0 H GLU A 121 7.304 -8.867 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 121 8.026 -11.542 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.291 -8.725 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.453 -9.899 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.615 -11.342 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.436 -10.203 -10.093 1.00 0.00 H new ATOM 1440 N ALA A 122 10.193 -9.504 -6.904 1.00 0.00 N ATOM 1441 CA ALA A 122 11.504 -9.441 -6.268 1.00 0.00 C ATOM 1442 C ALA A 122 11.600 -10.415 -5.098 1.00 0.00 C ATOM 1443 O ALA A 122 12.443 -11.312 -5.092 1.00 0.00 O ATOM 1444 CB ALA A 122 11.794 -8.023 -5.800 1.00 0.00 C ATOM 0 H ALA A 122 9.644 -8.648 -6.824 1.00 0.00 H new ATOM 0 HA ALA A 122 12.251 -9.731 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.775 -7.990 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.780 -7.348 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.034 -7.714 -5.082 1.00 0.00 H new ATOM 1450 N LEU A 123 10.734 -10.229 -4.106 1.00 0.00 N ATOM 1451 CA LEU A 123 10.722 -11.088 -2.926 1.00 0.00 C ATOM 1452 C LEU A 123 10.589 -12.558 -3.316 1.00 0.00 C ATOM 1453 O LEU A 123 11.268 -13.420 -2.759 1.00 0.00 O ATOM 1454 CB LEU A 123 9.578 -10.688 -1.991 1.00 0.00 C ATOM 1455 CG LEU A 123 9.867 -10.858 -0.499 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.980 -9.917 -0.061 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.607 -10.615 0.317 1.00 0.00 C ATOM 0 H LEU A 123 10.031 -9.490 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 123 11.671 -10.958 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.324 -9.645 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.699 -11.281 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 123 10.197 -11.882 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.172 -10.052 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.886 -10.138 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.679 -8.886 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.830 -10.740 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.248 -9.601 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.839 -11.329 0.021 1.00 0.00 H new ATOM 1469 N GLN A 124 9.712 -12.838 -4.276 1.00 0.00 N ATOM 1470 CA GLN A 124 9.498 -14.206 -4.736 1.00 0.00 C ATOM 1471 C GLN A 124 10.786 -14.798 -5.299 1.00 0.00 C ATOM 1472 O GLN A 124 11.182 -15.906 -4.938 1.00 0.00 O ATOM 1473 CB GLN A 124 8.399 -14.246 -5.799 1.00 0.00 C ATOM 1474 CG GLN A 124 6.996 -14.336 -5.221 1.00 0.00 C ATOM 1475 CD GLN A 124 5.933 -14.480 -6.293 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.232 -14.819 -7.438 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.683 -14.224 -5.925 1.00 0.00 N ATOM 0 H GLN A 124 9.140 -12.138 -4.749 1.00 0.00 H new ATOM 0 HA GLN A 124 9.186 -14.804 -3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.471 -13.352 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.569 -15.101 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.940 -15.187 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.792 -13.443 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.481 -13.946 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.925 -14.306 -6.603 1.00 0.00 H new ATOM 1486 N HIS A 125 11.436 -14.051 -6.186 1.00 0.00 N ATOM 1487 CA HIS A 125 12.680 -14.501 -6.799 1.00 0.00 C ATOM 1488 C HIS A 125 13.748 -14.758 -5.741 1.00 0.00 C ATOM 1489 O HIS A 125 14.399 -15.803 -5.743 1.00 0.00 O ATOM 1490 CB HIS A 125 13.181 -13.463 -7.805 1.00 0.00 C ATOM 1491 CG HIS A 125 14.397 -13.901 -8.561 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.613 -14.144 -7.956 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.582 -14.142 -9.881 1.00 0.00 C ATOM 1494 CE1 HIS A 125 16.492 -14.513 -8.870 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.891 -14.521 -10.046 1.00 0.00 N ATOM 0 H HIS A 125 11.122 -13.132 -6.496 1.00 0.00 H new ATOM 0 HA HIS A 125 12.480 -15.437 -7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.383 -13.241 -8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.406 -12.536 -7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.838 -14.053 -10.659 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.526 -14.765 -8.687 1.00 0.00 H new ATOM 0 HE2 HIS A 125 16.329 -14.769 -10.933 1.00 0.00 H new ATOM 1504 N ALA A 126 13.923 -13.799 -4.839 1.00 0.00 N ATOM 1505 CA ALA A 126 14.912 -13.922 -3.775 1.00 0.00 C ATOM 1506 C ALA A 126 14.622 -15.131 -2.892 1.00 0.00 C ATOM 1507 O ALA A 126 15.540 -15.793 -2.409 1.00 0.00 O ATOM 1508 CB ALA A 126 14.948 -12.651 -2.939 1.00 0.00 C ATOM 0 H ALA A 126 13.393 -12.928 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 126 15.889 -14.069 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.691 -12.757 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.212 -11.805 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.967 -12.480 -2.495 1.00 0.00 H new ATOM 1514 N MET A 127 13.340 -15.414 -2.687 1.00 0.00 N ATOM 1515 CA MET A 127 12.930 -16.544 -1.862 1.00 0.00 C ATOM 1516 C MET A 127 13.461 -17.855 -2.433 1.00 0.00 C ATOM 1517 O MET A 127 13.793 -18.779 -1.690 1.00 0.00 O ATOM 1518 CB MET A 127 11.405 -16.601 -1.758 1.00 0.00 C ATOM 1519 CG MET A 127 10.905 -17.213 -0.460 1.00 0.00 C ATOM 1520 SD MET A 127 9.220 -17.841 -0.591 1.00 0.00 S ATOM 1521 CE MET A 127 8.282 -16.322 -0.449 1.00 0.00 C ATOM 0 H MET A 127 12.568 -14.877 -3.081 1.00 0.00 H new ATOM 0 HA MET A 127 13.350 -16.405 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.005 -15.591 -1.851 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.014 -17.178 -2.596 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.570 -18.026 -0.167 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.949 -16.464 0.331 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.257 -16.553 -0.157 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.739 -15.682 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.278 -15.806 -1.409 1.00 0.00 H new ATOM 1531 N GLY A 128 13.538 -17.928 -3.758 1.00 0.00 N ATOM 1532 CA GLY A 128 14.030 -19.129 -4.407 1.00 0.00 C ATOM 1533 C GLY A 128 13.162 -19.556 -5.575 1.00 0.00 C ATOM 1534 O GLY A 128 12.889 -20.743 -5.752 1.00 0.00 O ATOM 0 H GLY A 128 13.269 -17.177 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.047 -18.957 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.077 -19.938 -3.678 1.00 0.00 H new ATOM 1538 N ILE A 129 12.728 -18.587 -6.374 1.00 0.00 N ATOM 1539 CA ILE A 129 11.887 -18.870 -7.532 1.00 0.00 C ATOM 1540 C ILE A 129 12.467 -18.247 -8.797 1.00 0.00 C ATOM 1541 O ILE A 129 13.211 -17.269 -8.734 1.00 0.00 O ATOM 1542 CB ILE A 129 10.452 -18.347 -7.328 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.924 -18.757 -5.952 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.539 -18.867 -8.429 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.603 -18.111 -5.595 1.00 0.00 C ATOM 0 H ILE A 129 12.944 -17.599 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 129 11.858 -19.954 -7.643 1.00 0.00 H new ATOM 0 HB ILE A 129 10.468 -17.258 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.809 -19.841 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.664 -18.495 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.528 -18.490 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.907 -18.528 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.527 -19.957 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.289 -18.447 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.718 -17.027 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.850 -18.393 -6.330 1.00 0.00 H new ATOM 1557 N HIS A 130 12.121 -18.820 -9.944 1.00 0.00 N ATOM 1558 CA HIS A 130 12.608 -18.321 -11.225 1.00 0.00 C ATOM 1559 C HIS A 130 11.520 -18.401 -12.291 1.00 0.00 C ATOM 1560 O HIS A 130 10.940 -19.462 -12.521 1.00 0.00 O ATOM 1561 CB HIS A 130 13.836 -19.116 -11.672 1.00 0.00 C ATOM 1562 CG HIS A 130 15.113 -18.647 -11.046 1.00 0.00 C ATOM 1563 ND1 HIS A 130 15.454 -17.447 -10.519 1.00 0.00 N flip ATOM 1564 CD2 HIS A 130 16.224 -19.453 -10.907 1.00 0.00 C flip ATOM 1565 CE1 HIS A 130 16.750 -17.549 -10.078 1.00 0.00 C flip ATOM 1566 NE2 HIS A 130 17.191 -18.769 -10.323 1.00 0.00 N flip ATOM 0 H HIS A 130 11.505 -19.630 -10.013 1.00 0.00 H new ATOM 0 HA HIS A 130 12.888 -17.275 -11.096 1.00 0.00 H new ATOM 0 HB2 HIS A 130 13.686 -20.168 -11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 130 13.927 -19.050 -12.756 1.00 0.00 H new ATOM 0 HD2 HIS A 130 16.292 -20.483 -11.226 1.00 0.00 H new ATOM 0 HE1 HIS A 130 17.317 -16.759 -9.607 1.00 0.00 H new ATOM 0 HE2 HIS A 130 18.121 -19.123 -10.099 1.00 0.00 H new ATOM 1575 N ALA A 131 11.250 -17.273 -12.938 1.00 0.00 N ATOM 1576 CA ALA A 131 10.232 -17.216 -13.980 1.00 0.00 C ATOM 1577 C ALA A 131 10.761 -17.778 -15.295 1.00 0.00 C ATOM 1578 O ALA A 131 11.947 -17.657 -15.601 1.00 0.00 O ATOM 1579 CB ALA A 131 9.754 -15.784 -14.171 1.00 0.00 C ATOM 0 H ALA A 131 11.722 -16.386 -12.759 1.00 0.00 H new ATOM 0 HA ALA A 131 9.389 -17.831 -13.665 1.00 0.00 H new ATOM 0 HB1 ALA A 131 8.994 -15.755 -14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 131 9.329 -15.415 -13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 131 10.596 -15.155 -14.461 1.00 0.00 H new ATOM 1585 N ASP A 132 9.873 -18.394 -16.069 1.00 0.00 N ATOM 1586 CA ASP A 132 10.251 -18.976 -17.352 1.00 0.00 C ATOM 1587 C ASP A 132 9.130 -18.816 -18.374 1.00 0.00 C ATOM 1588 O ASP A 132 8.265 -19.682 -18.501 1.00 0.00 O ATOM 1589 CB ASP A 132 10.595 -20.456 -17.183 1.00 0.00 C ATOM 1590 CG ASP A 132 12.024 -20.669 -16.723 1.00 0.00 C ATOM 1591 OD1 ASP A 132 12.916 -19.933 -17.196 1.00 0.00 O ATOM 1592 OD2 ASP A 132 12.252 -21.571 -15.890 1.00 0.00 O ATOM 0 H ASP A 132 8.887 -18.503 -15.830 1.00 0.00 H new ATOM 0 HA ASP A 132 11.130 -18.445 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 132 9.913 -20.904 -16.460 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.440 -20.973 -18.130 1.00 0.00 H new ATOM 1597 N ILE A 133 9.152 -17.703 -19.100 1.00 0.00 N ATOM 1598 CA ILE A 133 8.137 -17.430 -20.110 1.00 0.00 C ATOM 1599 C ILE A 133 8.647 -17.769 -21.507 1.00 0.00 C ATOM 1600 O ILE A 133 9.726 -17.262 -21.881 1.00 0.00 O ATOM 1601 CB ILE A 133 7.698 -15.954 -20.081 1.00 0.00 C ATOM 1602 CG1 ILE A 133 7.370 -15.525 -18.650 1.00 0.00 C ATOM 1603 CG2 ILE A 133 6.498 -15.740 -20.992 1.00 0.00 C ATOM 1604 CD1 ILE A 133 8.552 -14.934 -17.911 1.00 0.00 C ATOM 0 H ILE A 133 9.861 -16.976 -19.007 1.00 0.00 H new ATOM 0 HA ILE A 133 7.280 -18.061 -19.875 1.00 0.00 H new ATOM 0 HB ILE A 133 8.521 -15.339 -20.445 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.564 -14.792 -18.675 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.000 -16.388 -18.096 1.00 0.00 H new ATOM 0 HG21 ILE A 133 6.200 -14.692 -20.961 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.764 -16.011 -22.014 1.00 0.00 H new ATOM 0 HG23 ILE A 133 5.670 -16.363 -20.655 1.00 0.00 H new ATOM 0 HD11 ILE A 133 8.247 -14.652 -16.903 1.00 0.00 H new ATOM 0 HD12 ILE A 133 9.352 -15.672 -17.855 1.00 0.00 H new ATOM 0 HD13 ILE A 133 8.909 -14.052 -18.442 1.00 0.00 H new TER 1616 ILE A 133